SCHEMBL9337697

SCHEMBL9337697

C[N+](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccc(C(=O)c2cn(CCCC(=O)O)c3ccccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.53
CNR1 P21554 7/20 0.53
SRD5A1 P18405 6/20 0.53
SRD5A2 P31213 6/20 0.53
KMT2A Q03164 1/20 0.46
CREBBP Q92793 1/20 0.45

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
SCHEMBL9337830 0.89 CNR1 (0.59) CNR2CNR1SRD5A1SRD5A2CREBBP
SCHEMBL3405579 0.88 SRD5A1 (0.69) CNR2CNR1SRD5A1SRD5A2KMT2A
Hydrochloric Acid SCHEMBL8793984 0.87 SRD5A1 (0.68) CNR2CNR1SRD5A1SRD5A2KMT2A
SCHEMBL8793528 0.85 SRD5A1 (0.65) CNR2CNR1SRD5A1SRD5A2KMT2A
SCHEMBL8792253 0.85 SRD5A1 (0.56) CNR2CNR1SRD5A1SRD5A2
SCHEMBL8792776 0.82 SRD5A1 (0.61) CNR2CNR1SRD5A1SRD5A2KMT2A
SCHEMBL8792188 0.79 SRD5A1 (0.63) CNR2CNR1SRD5A1SRD5A2KMT2A
SCHEMBL8792553 0.79 SRD5A1 (0.72) CNR2CNR1SRD5A1SRD5A2KMT2A
SCHEMBL9337690 0.78 SRD5A1 (0.79) CNR2CNR1SRD5A1SRD5A2KMT2A
SCHEMBL8793632 0.78 SRD5A1 (0.62) CNR2CNR1SRD5A1SRD5A2KMT2A

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 3 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 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