SCHEMBL8073863

SCHEMBL8073863

CC(C)NC(=O)NC[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.63
AR P10275 7/20 0.61
KCNH2 Q12809 5/20 0.55

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
SCHEMBL8073865 1.00 SRD5A2 (0.63) SRD5A2ARKCNH2
SCHEMBL8063856 0.88 AR (0.61) SRD5A2ARKCNH2
SCHEMBL8076925 0.88 AR (0.61) SRD5A2ARKCNH2
SCHEMBL8063860 0.88 AR (0.61) SRD5A2ARKCNH2
SCHEMBL8077641 0.86 AR (0.61) SRD5A2ARKCNH2
SCHEMBL8077639 0.86 AR (0.61) SRD5A2ARKCNH2
SCHEMBL8495924 0.85 AR (0.63) SRD5A2ARKCNH2
SCHEMBL8495920 0.85 AR (0.63) SRD5A2ARKCNH2
SCHEMBL8496657 0.85 AR (0.63) SRD5A2ARKCNH2
SCHEMBL8496662 0.85 AR (0.63) SRD5A2ARKCNH2

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
EP-0641208-B1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 2000-08-02 EP claimed
US-5620986-A TREATS BENIGN PROSTATIC HYPERTROPHY, SEBORRHEA, FEMALE HIRSUTISM, AND MALE AND FEMALE PATTEN BALDNESS MERCK & CO., INC. (US) 1997-04-15 US claimed