SCHEMBL21240086

SCHEMBL21240086

CCCCCCC(C)(CCCCC)N1CCN([C@H](C)CCCCC)CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.32
OPRM1 P35372 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31

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
SCHEMBL24368363 0.86
SCHEMBL21940976 0.85
SCHEMBL24665405 0.84 CYP2D6 (0.30)
SCHEMBL20887275 0.84 TSHR (0.38)
SCHEMBL11870424 0.84 OPRM1 (0.42) KDM2BOPRM1SPHK1
SCHEMBL22024185 0.84 TSHR (0.38)
SCHEMBL3411263 0.84 OPRM1 (0.42) KDM2BOPRM1SPHK1
SCHEMBL9070252 0.82 OPRM1 (0.44) KDM2BOPRM1SPHK1
SCHEMBL19797928 0.79 KDM2B (0.34) KDM2B
SCHEMBL24355086 0.78 OPRM1 (0.38) KDM2BOPRM1SPHK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968316-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2019-08-07 EP disclosed