SCHEMBL8766085

SCHEMBL8766085

C/C(=C1/CC[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 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.52
KCNH2 Q12809 10/20 0.51

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
SCHEMBL8766090 1.00 AR (0.52) ARKCNH2
SCHEMBL8543063 1.00 AR (0.52) ARKCNH2
SCHEMBL8926925 0.85 AR (0.53) ARKCNH2
SCHEMBL14184795 0.78 AR (0.59) ARKCNH2
SCHEMBL9482185 0.77 AR (0.64) ARKCNH2
SCHEMBL13656762 0.77 AR (0.64) ARKCNH2
SCHEMBL916545 0.76 AR (0.56) ARKCNH2
SCHEMBL5420574 0.74 AR (0.58) ARKCNH2
SCHEMBL916670 0.72 AR (0.62) ARKCNH2
SCHEMBL916669 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
EP-0646007-B1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17$g(b)-SUBSTITUTED-4-AZA-5$g(a)-ANDROSTAN-3-ONES AS 5$g(a)-REDUCTASE INHIBITORS MERCK & CO INC (US) 1997-08-13 EP claimed
WO-1993023050-A1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed