SCHEMBL8792253

SCHEMBL8792253

CC(C)Cc1ccc([N+](C)(c2ccc(CC(C)C)cc2)c2cccc(C(=O)c3cn(CCCC(=O)O)c4ccc(Cl)cc34)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 6/20 0.56
SRD5A2 P31213 6/20 0.56
CNR2 P34972 4/20 0.40
CNR1 P21554 2/20 0.40
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
CPT1B Q92523 1/20 0.36
PLA2G4A P47712 3/20 0.36
ACLY P53396 1/20 0.35

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
SCHEMBL3405579 0.90 SRD5A1 (0.69) SRD5A1SRD5A2CNR2CNR1
Hydrochloric Acid SCHEMBL8793984 0.89 SRD5A1 (0.68) SRD5A1SRD5A2CNR2CNR1
SCHEMBL8793528 0.88 SRD5A1 (0.65) SRD5A1SRD5A2CNR2CNR1
SCHEMBL8792776 0.85 SRD5A1 (0.61) SRD5A1SRD5A2CNR2CNR1
SCHEMBL9337697 0.85 CNR2 (0.53) SRD5A1SRD5A2CNR2CNR1
SCHEMBL8792246 0.83 SRD5A1 (0.82) SRD5A1SRD5A2CNR2CNR1CPT2
SCHEMBL8792553 0.82 SRD5A1 (0.72) SRD5A1SRD5A2CNR2CNR1
SCHEMBL8794327 0.80 CNR1 (0.56) SRD5A1SRD5A2CNR2CNR1
SCHEMBL9153124 0.79 PLA2G4A (0.38) SRD5A1SRD5A2PLA2G4A
SCHEMBL8793729 0.78 CNR1 (0.56) SRD5A1SRD5A2CNR2CNR1

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
EP-0458207-B1 Indole derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-03-26 EP disclosed
US-5312829-A Testosterone 5alpha-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-17 US disclosed
US-5212320-A Enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-18 US disclosed
EP-0458207-A2 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-27 EP disclosed