SCHEMBL8926372

SCHEMBL8926372

CC1C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)/C1=C/c1cnccn1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.45
SRD5A2 P31213 1/20 0.45
HSD17B7 P56937 1/20 0.44

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
SCHEMBL8926383 1.00 SRD5A1 (0.45) SRD5A1SRD5A2HSD17B7
SCHEMBL8543103 0.84 SRD5A1 (0.47) SRD5A1SRD5A2HSD17B7
SCHEMBL9116113 0.84 SRD5A1 (0.47) SRD5A1SRD5A2HSD17B7
SCHEMBL8543099 0.84 SRD5A1 (0.47) SRD5A1SRD5A2HSD17B7
SCHEMBL9116110 0.84 SRD5A1 (0.47) SRD5A1SRD5A2HSD17B7
SCHEMBL8925323 0.82 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL8925318 0.82 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL8766005 0.78 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8766002 0.78 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8765994 0.78 SRD5A1 (0.51) SRD5A1SRD5A2

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