SCHEMBL8459694

SCHEMBL8459694

O=C1CCC2CCC(O)CC2N1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.30

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
SCHEMBL8467008 1.00 SRD5A1 (0.30) SRD5A1
SCHEMBL8469381 0.85 SRD5A1 (0.30) SRD5A1
SCHEMBL3944528 0.84 SRD5A1 (0.35) SRD5A1
SCHEMBL3744049 0.82 SMYD3 (0.34)
SCHEMBL9056665 0.78
SCHEMBL11018433 0.77 SRD5A1 (0.30) SRD5A1
SCHEMBL28222420 0.77
SCHEMBL8465242 0.72 ALDH1A1 (0.36)
SCHEMBL8328123 0.72 ALDH1A1 (0.36)
SCHEMBL3046579 0.71 ALDH1A1 (0.36) 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
EP-0789571-A4 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO INC (US) 1999-04-14 EP disclosed
EP-0789571-A1 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE Merck & Co., Inc. (US) 1997-08-20 EP disclosed
WO-1996014844-A1 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-05-23 WO disclosed