SCHEMBL9334036

SCHEMBL9334036

CCCC[C@H](Oc1ccc(C(=O)c2cn(CCCC(=O)O)c3ccccc23)cc1)c1ccc(CC(C)C)cc1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 7/20 0.79
SRD5A2 P31213 7/20 0.79
CNR2 P34972 9/20 0.51
CNR1 P21554 6/20 0.51
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
GCG P01275 1/20 0.42

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
SCHEMBL8432773 1.00 SRD5A1 (0.79) SRD5A1SRD5A2CNR2CNR1ADRA1D
SCHEMBL9334029 1.00 SRD5A1 (0.79) SRD5A1SRD5A2CNR2CNR1ADRA1D
SCHEMBL9334061 0.98 SRD5A1 (0.78) SRD5A1SRD5A2CNR2CNR1ADRA1D
SCHEMBL9337524 0.97 SRD5A1 (0.77) SRD5A1SRD5A2CNR2CNR1ADRA1D
SCHEMBL9334526 0.97 SRD5A1 (0.77) SRD5A1SRD5A2CNR2CNR1ADRA1D
SCHEMBL9441212 0.96 SRD5A1 (0.80) SRD5A1SRD5A2CNR2CNR1ADRA1D
SCHEMBL9334465 0.96 SRD5A1 (0.80) SRD5A1SRD5A2CNR2CNR1ADRA1D
SCHEMBL9441222 0.96 SRD5A1 (0.80) SRD5A1SRD5A2CNR2CNR1ADRA1D
SCHEMBL9441229 0.93 SRD5A1 (0.83) SRD5A1SRD5A2CNR2CNR1ADRA1D
SCHEMBL9441204 0.93 SRD5A1 (0.83) SRD5A1SRD5A2CNR2CNR1ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5312829-A Testosterone 5alpha-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-17 US claimed
EP-0603278-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-29 EP disclosed
US-5312829-A Testosterone 5alpha-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-17 US disclosed
WO-1993005019-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-18 WO disclosed