SCHEMBL4046867

SCHEMBL4046867

O=c1cc(OCc2ccc(F)cn2)cnn1C1CCCCO1.O=c1cc(OCc2ccc(F)cn2)cnn1C1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
MCHR1 Q99705 18/20 0.44

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
SCHEMBL158142 1.00 CYP4F2 (0.45) CYP4F2CYP4A11MCHR1
SCHEMBL1366940 0.88 CYP4F2 (0.46) CYP4F2CYP4A11MCHR1
SCHEMBL1364562 0.87 MCHR1 (0.44) CYP4F2CYP4A11MCHR1
SCHEMBL1365511 0.87 MCHR1 (0.44) CYP4F2CYP4A11MCHR1
SCHEMBL15238669 0.86 MCHR1 (0.45) CYP4F2CYP4A11MCHR1
SCHEMBL4047527 0.84 MCHR1 (0.49) MCHR1
SCHEMBL1366609 0.84 CYP4F2 (0.46) CYP4F2CYP4A11MCHR1
SCHEMBL1366880 0.81 CYP4F2 (0.51) CYP4F2CYP4A11MCHR1
SCHEMBL15111078 0.80 MCHR1 (0.45) CYP4F2CYP4A11MCHR1
SCHEMBL155870 0.78 CYP4F2 (0.44) CYP4F2CYP4A11MCHR1

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
WO-2009103478-A1 PYRIDONE AND PYRIDAZINONE DERIVATIVES AS MCH ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 WO disclosed