SCHEMBL8926925

SCHEMBL8926925

C/C(=C1/C(C)C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)c1cnccn1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.53
KCNH2 Q12809 10/20 0.53

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
SCHEMBL8543063 0.85 AR (0.52) ARKCNH2
SCHEMBL8766090 0.85 AR (0.52) ARKCNH2
SCHEMBL8766085 0.85 AR (0.52) ARKCNH2
SCHEMBL14184795 0.76 AR (0.59) ARKCNH2
SCHEMBL13656798 0.74 AR (0.69) ARKCNH2
SCHEMBL916545 0.74 AR (0.56) ARKCNH2
SCHEMBL13656783 0.72 AR (0.62) ARKCNH2
SCHEMBL4268107 0.72 AR (0.62) ARKCNH2
SCHEMBL13656779 0.72 AR (0.62) ARKCNH2
SCHEMBL4268103 0.72 AR (0.62) ARKCNH2

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-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed