SCHEMBL9212630

SCHEMBL9212630

CCCCNC(=O)NC(=O)C1CC[C@H]2[C@@H]3CCC4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.60
SRD5A2 P31213 1/20 0.56
KCNH2 Q12809 2/20 0.52

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
SCHEMBL9212620 1.00 AR (0.60) ARSRD5A2KCNH2
SCHEMBL5213364 0.93 AR (0.64) ARSRD5A2KCNH2
SCHEMBL5213351 0.93 AR (0.64) ARSRD5A2KCNH2
SCHEMBL9209700 0.92 AR (0.58) ARSRD5A2KCNH2
SCHEMBL9209691 0.92 AR (0.58) ARSRD5A2KCNH2
SCHEMBL10631413 0.90 AR (0.62) ARSRD5A2
SCHEMBL7623411 0.90 AR (0.62) ARSRD5A2
SCHEMBL11005799 0.86 AR (0.68) ARSRD5A2KCNH2
SCHEMBL11005803 0.86 AR (0.68) ARSRD5A2KCNH2
SCHEMBL8077641 0.85 AR (0.61) ARSRD5A2KCNH2

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-0468012-B1 17$g(b)-SUBSTITUTED-4-AZA-5$g(a)-ANDROSTAN-3-ONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1995-09-20 EP claimed
EP-0468012-A1 17-g(b)-SUBSTITUTED-4-AZA-5-g(a)-ANDROSTAN-3-ONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1992-01-29 EP claimed
EP-0468012-B1 17$g(b)-SUBSTITUTED-4-AZA-5$g(a)-ANDROSTAN-3-ONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1995-09-20 EP disclosed
US-5155107-A Inhibiting androgen action, anticarcinogenic agents, treating skin disorders, baldness FARMITALIA CARLO ERBA (IT) 1992-10-13 US disclosed