SCHEMBL8760838

SCHEMBL8760838

O=C(O)CNCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.73
FFAR1 O14842 2/20 0.65
FFAR4 Q5NUL3 1/20 0.65
SPHK2 Q9NRA0 1/20 0.64
SPHK1 Q9NYA1 1/20 0.64
GID4 Q8IVV7 1/20 0.60

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
SCHEMBL15891108 0.88 BCHE (0.69) BCHEFFAR1FFAR4
SCHEMBL7391510 0.88 SPHK2 (0.82) BCHESPHK2SPHK1GID4
SCHEMBL3498807 0.87 BCHE (0.67) BCHESPHK2SPHK1GID4
SCHEMBL7399120 0.85 BCHE (0.65) BCHESPHK2SPHK1GID4
SCHEMBL7396470 0.85 GID4 (0.78) SPHK2SPHK1GID4
SCHEMBL2295339 0.85 BCHE (0.64) BCHESPHK2SPHK1GID4
SCHEMBL7760590 0.85 BCHE (1.00) BCHE
SCHEMBL11069984 0.85 BCHE (1.00) BCHE
SCHEMBL7400144 0.84 BCHE (0.63) BCHESPHK2SPHK1GID4
SCHEMBL5099013 0.83 GID4 (0.65) BCHESPHK2SPHK1GID4

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-0767800-A1 HISTIDINE AND HOMOHISTIDINE DERIVATIVES AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-04-16 EP disclosed
WO-1996000736-A1 HISTIDINE AND HOMOHISTIDINE DERIVATIVES AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1996-01-11 WO disclosed
EP-0668270-A2 2-Imidazoline-5-ones derivatives as fungicides RHONE-POULENC AGROCHIMIE (FR) 1995-08-23 EP disclosed