SCHEMBL8910867

SCHEMBL8910867

CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)C(NC(=O)c5cccnc5)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.59
KCNH2 Q12809 4/20 0.59
SRD5A2 P31213 1/20 0.50

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
SCHEMBL8910871 1.00 AR (0.59) ARKCNH2SRD5A2
SCHEMBL4800542 1.00 AR (0.59) ARKCNH2SRD5A2
SCHEMBL8904177 0.90 AR (0.62) ARKCNH2SRD5A2
SCHEMBL8904181 0.90 AR (0.62) ARKCNH2SRD5A2
SCHEMBL2639847 0.90 AR (0.62) ARKCNH2SRD5A2
SCHEMBL8909725 0.89 AR (0.64) ARKCNH2SRD5A2
SCHEMBL2639106 0.88 AR (0.56) ARKCNH2SRD5A2
SCHEMBL2639105 0.88 AR (0.56) ARKCNH2SRD5A2
SCHEMBL4797525 0.86 AR (0.64) ARKCNH2SRD5A2
SCHEMBL14184795 0.85 AR (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639741-A STEROIDS TREATING SKIN DISORDERS MERCK & CO., INC. (US) 1997-06-17 US claimed
WO-1993023038-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed