SCHEMBL10695802

SCHEMBL10695802

CCNc1cccc(N2CCN(CCCC(=O)[C@H]3[C@H](C)C[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)C5=CC[C@@]43C)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
PGR P06401 1/20 0.46
ADRB2 P07550 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
AR P10275 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
PTGS1 P23219 1/20 0.46
HRH2 P25021 1/20 0.46
MAPK3 P27361 1/20 0.46
PDE4A P27815 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL10720559 0.90 EGFR (0.45) EGFRLCKFYNPGRADRB2
SCHEMBL9200492 0.87 EGFR (0.41) EGFRLCKFYNPGRADRB2
SCHEMBL4928160 0.85 LCK (0.64) EGFRLCKFYNPGRADRB2
SCHEMBL6434222 0.85 LCK (0.64) EGFRLCKFYNPGRADRB2
SCHEMBL9206259 0.84 EGFR (0.61) EGFRLCKFYNPGRADRB2
SCHEMBL9198078 0.83 HTR2A (0.47) EGFRLCKFYNPGRADRB2
SCHEMBL9073334 0.79 KCNH2 (0.73) EGFRLCKFYNPGRADRB2
SCHEMBL9073339 0.79 KCNH2 (0.73) EGFRLCKFYNPGRADRB2
Hydrochloric Acid SCHEMBL10719574 0.78 KCNH2 (0.72) EGFRLCKFYNPGRADRB2
Hydrochloric Acid SCHEMBL10719564 0.78 KCNH2 (0.72) EGFRLCKFYNPGRADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0263213-A1 C20 Through C26 amino steroids THE UPJOHN COMPANY (US) 1988-04-13 EP 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-0263213-A1 C20 Through C26 amino steroids THE UPJOHN COMPANY (US) 1988-04-13 EP disclosed