SCHEMBL8793528

SCHEMBL8793528

CC(C)Cc1ccc([N+](C)(c2ccc(CC(C)C)cc2)c2cccc(C(=O)c3cn(CCCCC(=O)O)c4ccccc34)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 6/20 0.65
SRD5A2 P31213 6/20 0.65
CNR2 P34972 6/20 0.52
CNR1 P21554 6/20 0.52
KMT2A Q03164 1/20 0.42
CREBBP Q92793 1/20 0.41

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 0.97 SRD5A1 (0.69) SRD5A1SRD5A2CNR2CNR1KMT2A
Hydrochloric Acid SCHEMBL8793984 0.97 SRD5A1 (0.68) SRD5A1SRD5A2CNR2CNR1KMT2A
SCHEMBL8792776 0.94 SRD5A1 (0.61) SRD5A1SRD5A2CNR2CNR1KMT2A
SCHEMBL8793729 0.90 CNR1 (0.56) SRD5A1SRD5A2CNR2CNR1CREBBP
SCHEMBL8792553 0.89 SRD5A1 (0.72) SRD5A1SRD5A2CNR2CNR1KMT2A
SCHEMBL8792253 0.88 SRD5A1 (0.56) SRD5A1SRD5A2CNR2CNR1
SCHEMBL8794327 0.87 CNR1 (0.56) SRD5A1SRD5A2CNR2CNR1CREBBP
SCHEMBL9337697 0.85 CNR2 (0.53) SRD5A1SRD5A2CNR2CNR1KMT2A
SCHEMBL8793423 0.85 CREBBP (0.52) SRD5A1SRD5A2CNR2CNR1CREBBP
SCHEMBL27314275 0.84 SRD5A1 (0.74) SRD5A1SRD5A2CNR2CNR1KMT2A

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