SCHEMBL8074075

SCHEMBL8074075

CCCCCCCCNC(=O)NCC1CC[C@H]2[C@@H]3CCC4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.59
KCNH2 Q12809 3/20 0.52
SRD5A2 P31213 1/20 0.49

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
SCHEMBL8078877 1.00 AR (0.59) ARKCNH2SRD5A2
SCHEMBL8078879 1.00 AR (0.59) ARKCNH2SRD5A2
SCHEMBL8077639 0.97 AR (0.61) ARKCNH2SRD5A2
SCHEMBL8077641 0.97 AR (0.61) ARKCNH2SRD5A2
SCHEMBL8076925 0.93 AR (0.61) ARKCNH2SRD5A2
SCHEMBL10631413 0.85 AR (0.62) ARSRD5A2
SCHEMBL7623411 0.85 AR (0.62) ARSRD5A2
SCHEMBL8063856 0.84 AR (0.61) ARKCNH2SRD5A2
SCHEMBL8063860 0.84 AR (0.61) ARKCNH2SRD5A2
SCHEMBL8073863 0.84 SRD5A2 (0.63) 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
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