SCHEMBL9546689

SCHEMBL9546689

CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)C(NC(=O)CCc5cccc(NC(=O)c6ccccc6)c5)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.49
KCNH2 Q12809 3/20 0.47
SRD5A1 P18405 2/20 0.45
SRD5A2 P31213 1/20 0.43

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
SCHEMBL9219007 0.92 AR (0.51) ARKCNH2SRD5A1SRD5A2
SCHEMBL14223332 0.87 AR (0.54) ARKCNH2SRD5A2
SCHEMBL8902469 0.86 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL2639491 0.86 AR (0.53) ARKCNH2SRD5A2
SCHEMBL4803550 0.86 AR (0.53) ARKCNH2SRD5A2
SCHEMBL8909725 0.84 AR (0.64) ARKCNH2SRD5A2
SCHEMBL8904185 0.83 AR (0.61) ARKCNH2SRD5A2
SCHEMBL8904183 0.83 AR (0.61) ARKCNH2SRD5A2
SCHEMBL14223683 0.82 AR (0.57) ARKCNH2SRD5A2
SCHEMBL4799349 0.81 AR (0.56) ARKCNH2SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993023038-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed