SCHEMBL9055830

SCHEMBL9055830

O=C1CCC2NC(=O)CCC2C1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 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
SCHEMBL8468724 1.00 SRD5A1 (0.35) SRD5A1
Ethylene Glycol SCHEMBL5947121 0.91 SRD5A1 (0.31) SRD5A1
Ethylene Glycol SCHEMBL5947118 0.91 SRD5A1 (0.31) SRD5A1
SCHEMBL9998683 0.87 SRD5A1 (0.37) SRD5A1
SCHEMBL10988806 0.85 SRD5A1 (0.33) SRD5A1
SCHEMBL9055414 0.85 SRD5A1 (0.33) SRD5A1
Hydrochloric Acid SCHEMBL8325587 0.80
SCHEMBL28222420 0.80
SCHEMBL12534015 0.76 SRD5A1 (0.38) SRD5A1
SCHEMBL26673240 0.76 SRD5A1 (0.38) SRD5A1

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
WO-1996014844-A1 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-05-23 WO disclosed
EP-0171277-A2 Improvements in or relating to tricycling quinoline derivatives ELI LILLY AND COMPANY (US) 1986-02-12 EP disclosed
US-4537964-A Method of preparing permissibly-substituted 1H(and 2H)pyrazolo[3,4-g]quinolines; pyrimido[4,5,g]quinolines; thiazolo[4,5,g]quinolines and intermediates therefore ELI LILLY AND COMPANY (US) 1985-08-27 US disclosed