SCHEMBL8745497

SCHEMBL8745497

CCN(CC)c1ccc(N(CC)CC)c(N2CCN(CC(=O)[C@H]3[C@H](C)C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)C5=CC[C@@]43C)CC2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.66
PGR P06401 2/20 0.66
AR P10275 2/20 0.66
EGFR P00533 1/20 0.66
LCK P06239 1/20 0.66
FYN P06241 1/20 0.66
ADRB2 P07550 1/20 0.66
CHRM2 P08172 1/20 0.66
ADRA2A P08913 1/20 0.66
ADORA3 P0DMS8 1/20 0.66
ADRA2C P18825 1/20 0.66
DRD1 P21728 1/20 0.66
PTGS1 P23219 1/20 0.66
HRH2 P25021 1/20 0.66
MAPK3 P27361 1/20 0.66
PDE4A P27815 1/20 0.66
HTR2A P28223 1/20 0.66
HTR2C P28335 1/20 0.66
DRD3 P35462 1/20 0.66
HTR2B P41595 1/20 0.66

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8745521 1.00 KCNH2 (0.66) KCNH2PGRAREGFRLCK
Hydrochloric Acid SCHEMBL31690230 0.99 KCNH2 (0.66) KCNH2PGRAREGFRLCK
Hydrochloric Acid SCHEMBL5824121 0.99 KCNH2 (0.66) KCNH2PGRAREGFRLCK
Hydrochloric Acid SCHEMBL718536 0.99 KCNH2 (0.65) KCNH2PGRAREGFRLCK
SCHEMBL9227982 0.90 KCNH2 (0.64) KCNH2PGRAREGFRLCK
SCHEMBL9227984 0.90 KCNH2 (0.64) KCNH2PGRAREGFRLCK
SCHEMBL9200483 0.90 KCNH2 (0.72) KCNH2PGRAREGFRLCK
SCHEMBL9200472 0.90 KCNH2 (0.72) KCNH2PGRAREGFRLCK
SCHEMBL7524804 0.89 KCNH2 (0.71) KCNH2PGRAREGFRLCK
Hydrochloric Acid SCHEMBL9210207 0.89 KCNH2 (0.71) KCNH2PGRAREGFRLCK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0389368-B1 New derivatives of 6-(1-piperazinyl) 2,5-pyridine diamine N,N,N',N'-substituted, procedure for their production and intermediates, their use as medicines and pharmaceutical preparations containing them ROUSSEL UCLAF (FR) 1997-01-29 EP claimed
US-5538721-A LIGHTLY CROSSLINKED CARBOXY POLYMER INSITE VISION INCORPORATED (US) 1996-07-23 US claimed
WO-1992018089-A2 USE OF STEROIDAL AND NON-STEROIDAL AMINES TO SENSITIZE MULTIDRUG-RESISTANT CELLS THE UPJOHN COMPANY (US) 1992-10-29 WO claimed
EP-0238545-A1 C 20? THROUGH C 26? AMINO STEROIDS. UPJOHN CO (US) 1987-09-30 EP claimed
WO-1987001706-A2 C20 THROUGH C26 AMINO STEROIDS THE UPJOHN COMPANY (US) 1987-03-26 WO claimed
EP-0389368-B1 New derivatives of 6-(1-piperazinyl) 2,5-pyridine diamine N,N,N',N'-substituted, procedure for their production and intermediates, their use as medicines and pharmaceutical preparations containing them ROUSSEL UCLAF (FR) 1997-01-29 EP disclosed
US-5506354-A ANTIULCER, ANTITURMOR, ANTIARTHRITIC, ANTIATHEROSCLEROSIS, ANTIALLERGIC, ANTIASTHMA AGENTS THE UPJOHN COMPANY (US) 1996-04-09 US disclosed
EP-0238545-B1 C20 THROUGH C26 AMINO STEROIDS UPJOHN CO (US) 1995-11-15 EP disclosed
US-RE35053-E Intermediates for amino substituted steroids THE UPJOHN COMPANY (US) 1995-10-10 US disclosed
EP-0263213-B1 C20 Through C26 amino steroids UPJOHN CO (US) 1995-09-06 EP disclosed
US-5436337-A Anticarcinogenic agents THE UPJOHN COMPANY (US) 1995-07-25 US disclosed
US-5382661-A Useful in treating spinal trauma, head injury, subarachnoid hemorrhage THE UPJOHN COMPANY (US) 1995-01-17 US disclosed
US-5322943-A As substituents on steroids are useful as pharmaceutical agents for treating a number of conditions THE UPJOHN COMPANY (US) 1994-06-21 US disclosed
US-5268477-A Containing a pyrrolidine or pyridine ring structure THE UPJOHN COMPANY (US) 1993-12-07 US disclosed
US-5175281-A Antiulcer, antiinflammatory, antiischemic, antiallergen, antisecretory, wound healing agents; cardiovascular disorders THE UPJOHN COMPANY (US) 1992-12-29 US disclosed
US-5099019-A Central nervous system steroid derivative drugs UPJOHN COMPANY (US) 1992-03-24 US disclosed
EP-0389368-A1 New derivatives of 6-(1-piperazinyl) 2,5-pyridine diamine N,N,N',N'-substituted, procedure for their production and intermediates, their use as medicines and pharmaceutical preparations containing them ROUSSEL UCLAF (FR) 1990-09-26 EP disclosed
EP-0263213-A1 C20 Through C26 amino steroids THE UPJOHN COMPANY (US) 1988-04-13 EP disclosed
EP-0238545-A1 C 20? THROUGH C 26? AMINO STEROIDS. UPJOHN CO (US) 1987-09-30 EP disclosed
WO-1987001706-A2 C20 THROUGH C26 AMINO STEROIDS THE UPJOHN COMPANY (US) 1987-03-26 WO disclosed