SCHEMBL9395181

SCHEMBL9395181

CNC(=O)/C=C1/CCc2cc(Cl)ccc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 3/20 0.48
▸ SRD5A2 P31213 2/20 0.48
▸ CYP19A1 P11511 6/20 0.47
▸ CYP11B1 P15538 6/20 0.47
▸ CYP11B2 P19099 6/20 0.47
▸ HTT P42858 1/20 0.43
▸ HRH1 P35367 1/20 0.37
▸ SLC6A15 Q9H2J7 1/20 0.37
▸ NOTUM Q6P988 1/20 0.36

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
SCHEMBL9395179 1.00 SRD5A1 (0.48) SRD5A1SRD5A2CYP19A1CYP11B1CYP11B2
SCHEMBL9395184 1.00 SRD5A1 (0.48) SRD5A1SRD5A2CYP19A1CYP11B1CYP11B2
SCHEMBL8445982 0.88 F7 (0.39) SRD5A1SRD5A2CYP19A1CYP11B1CYP11B2
SCHEMBL8445985 0.88 F7 (0.39) SRD5A1SRD5A2CYP19A1CYP11B1CYP11B2
SCHEMBL8445984 0.88 F7 (0.39) SRD5A1SRD5A2CYP19A1CYP11B1CYP11B2
SCHEMBL9390169 0.82 SRD5A1 (0.44) SRD5A1SRD5A2CYP19A1CYP11B1CYP11B2
SCHEMBL9390163 0.82 SRD5A1 (0.44) SRD5A1SRD5A2CYP19A1CYP11B1CYP11B2
SCHEMBL9390174 0.82 SRD5A1 (0.44) SRD5A1SRD5A2CYP19A1CYP11B1CYP11B2
SCHEMBL9395151 0.81 SRD5A1 (0.53) SRD5A1SRD5A2CYP19A1CYP11B1CYP11B2
SCHEMBL9390046 0.81 SRD5A1 (0.57) SRD5A1SRD5A2CYP19A1CYP11B1CYP11B2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994026692-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 — — WO claimed
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