SCHEMBL7399277

SCHEMBL7399277

Cc1noc(-c2ccccc2N(CC2CCN(C(C)C)CC2)C(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
HCRTR1 O43613 8/20 0.39
HCRTR2 O43614 8/20 0.39
NMT1 P30419 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CG P48736 1/20 0.37
NPY2R P49146 1/20 0.37
KCNH2 Q12809 1/20 0.37
CCR5 P51681 1/20 0.37
OPRK1 P41145 1/20 0.37
ADRA1A P35348 1/20 0.36

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
Maleic Acid SCHEMBL7392185 0.95 HCRTR1 (0.36) KMT2AHCRTR1HCRTR2NMT1HRH3
Fumaric Acid SCHEMBL7392191 0.95 HCRTR1 (0.36) KMT2AHCRTR1HCRTR2NMT1HRH3
SCHEMBL7397799 0.86 ACHE (0.46)
SCHEMBL7403466 0.85 ACKR3 (0.40) KMT2AHCRTR1HCRTR2KCNH2ADRA1A
SCHEMBL7397878 0.84 ADRA1A (0.43) KMT2AHCRTR1HCRTR2NMT1ADRA1A
SCHEMBL8023949 0.84 ADRA1A (0.36) PIK3CDPIK3CGADRA1A
SCHEMBL8121996 0.83 HCRTR1 (0.35) KMT2AHCRTR1HCRTR2OPRK1ADRA1A
SCHEMBL7397803 0.83 ACKR3 (0.42) KMT2AHCRTR1HCRTR2PIK3CDPIK3CG
SCHEMBL7399469 0.83 ACKR3 (0.40) KMT2AHCRTR1HCRTR2KCNH2ADRA1A
Hydrochloric Acid SCHEMBL7398822 0.83 ADRA1A (0.42) KMT2AHCRTR1HCRTR2NMT1ADRA1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3236298-B2 2001-12-10 JP claimed
US-5618827-A TREATING GASTROINTESTINAL, URINARY, CARDIOVASCULAR, CENTRAL NERVOUS SYTEM DISORDERS GLAXO GROUP LIMITED (GB) 1997-04-08 US claimed
EP-0640081-A1 SUBSTITUTED PHENYLCARBAMATES AND PHENYLUREAS, THEIR PREPARATION AND THEIR USE AS 5-HT ANTAGONISTS GLAXO GROUP LIMITED (GB) 1995-03-01 EP claimed
WO-1993020071-A1 SUBSTITUTED PHENYLCARBAMATES AND PHENYLUREAS, THEIR PREPARATION AND THEIR USE AS 5-HT ANTAGONISTS GLAXO GROUP LIMITED (GB) 1993-10-14 WO claimed
EP-0972773-A1 2-Oxadiazolyl- or 2-thiadiazolyl-phenylcarbamate and -phenylurea derivatives, their preparation and their use as intermediates GLAXO GROUP LIMITED (GB) 2000-01-19 EP disclosed
US-5618827-A TREATING GASTROINTESTINAL, URINARY, CARDIOVASCULAR, CENTRAL NERVOUS SYTEM DISORDERS GLAXO GROUP LIMITED (GB) 1997-04-08 US disclosed
EP-0640081-A1 SUBSTITUTED PHENYLCARBAMATES AND PHENYLUREAS, THEIR PREPARATION AND THEIR USE AS 5-HT ANTAGONISTS GLAXO GROUP LIMITED (GB) 1995-03-01 EP disclosed
WO-1993020071-A1 SUBSTITUTED PHENYLCARBAMATES AND PHENYLUREAS, THEIR PREPARATION AND THEIR USE AS 5-HT ANTAGONISTS GLAXO GROUP LIMITED (GB) 1993-10-14 WO disclosed