SCHEMBL9543312

SCHEMBL9543312

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

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 7/20 0.78
SRD5A2 P31213 7/20 0.78
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
CNR1 P21554 3/20 0.44
CNR2 P34972 2/20 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
SCHEMBL9543258 0.94 SRD5A1 (0.80) SRD5A1SRD5A2ADRA1DADRA1AADRA1B
SCHEMBL9334465 0.92 SRD5A1 (0.80) SRD5A1SRD5A2ADRA1DADRA1AADRA1B
SCHEMBL9441222 0.92 SRD5A1 (0.80) SRD5A1SRD5A2ADRA1DADRA1AADRA1B
SCHEMBL9441212 0.92 SRD5A1 (0.80) SRD5A1SRD5A2ADRA1DADRA1AADRA1B
SCHEMBL9334036 0.91 SRD5A1 (0.79) SRD5A1SRD5A2ADRA1DADRA1AADRA1B
SCHEMBL9334029 0.91 SRD5A1 (0.79) SRD5A1SRD5A2ADRA1DADRA1AADRA1B
SCHEMBL8432773 0.91 SRD5A1 (0.79) SRD5A1SRD5A2ADRA1DADRA1AADRA1B
SCHEMBL9543375 0.91 SRD5A1 (0.65) SRD5A1SRD5A2ADRA1DADRA1AADRA1B
SCHEMBL9334061 0.91 SRD5A1 (0.78) SRD5A1SRD5A2ADRA1DADRA1AADRA1B
SCHEMBL9441147 0.90 SRD5A1 (0.83) SRD5A1SRD5A2ADRA1DADRA1AADRA1B

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