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SCHEMBL9543258

SCHEMBL9543258

COCC(Oc1ccc(C(=O)c2cn(CCCC(=O)O)c3ccccc23)cc1)c1ccc(CC(C)C)cc1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 6/20 0.80
▸ SRD5A2 P31213 6/20 0.80
▸ CNR1 P21554 2/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ ADRA1D P25100 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 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
SCHEMBL9543312 0.94 SRD5A1 (0.78) SRD5A1SRD5A2CNR1CNR2ADRA1D
SCHEMBL9544348 0.92 SRD5A1 (0.78) SRD5A1SRD5A2CNR1CNR2ADRA1D
SCHEMBL9545074 0.92 SRD5A1 (0.78) SRD5A1SRD5A2CNR1CNR2ADRA1D
SCHEMBL9543343 0.92 SRD5A1 (0.78) SRD5A1SRD5A2CNR1CNR2ADRA1D
SCHEMBL8793390 0.92 SRD5A1 (0.83) SRD5A1SRD5A2CNR1CNR2ADRA1D
SCHEMBL9441204 0.92 SRD5A1 (0.83) SRD5A1SRD5A2CNR1CNR2ADRA1D
SCHEMBL9441229 0.92 SRD5A1 (0.83) SRD5A1SRD5A2CNR1CNR2ADRA1D
SCHEMBL9441147 0.92 SRD5A1 (0.83) SRD5A1SRD5A2CNR1CNR2ADRA1D
SCHEMBL9545104 0.91 SRD5A1 (0.66) SRD5A1SRD5A2CNR1CNR2
SCHEMBL9441222 0.90 SRD5A1 (0.80) SRD5A1SRD5A2CNR1CNR2ADRA1D

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-1993016996-A1 INDOLE DERIVATIVES AS TESTOSTERONE-5-ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-02 — — WO disclosed