SCHEMBL5037416

SCHEMBL5037416

Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2cc(CCO)cnc2c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.41
HTR2C P28335 7/20 0.41
TRPV1 Q8NER1 4/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LRRK2 Q5S007 1/20 0.36
MTTP P55157 1/20 0.36
SMO Q99835 1/20 0.36
KDR P35968 1/20 0.35
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL5037419 1.00 MCHR1 (0.41) MCHR1HTR2CTRPV1NPC1RAB9A
SCHEMBL3590895 0.93 TRPV1 (0.43) MCHR1HTR2CTRPV1NPC1RAB9A
SCHEMBL3590891 0.93 TRPV1 (0.43) MCHR1HTR2CTRPV1NPC1RAB9A
SCHEMBL13544279 0.91 MCHR1 (0.42) MCHR1HTR2CTRPV1NPC1RAB9A
SCHEMBL3588305 0.89 MCHR1 (0.38) MCHR1HTR2CTRPV1NPC1RAB9A
SCHEMBL3588308 0.89 MCHR1 (0.38) MCHR1HTR2CTRPV1NPC1RAB9A
SCHEMBL5037289 0.88 MCHR1 (0.40) MCHR1HTR2CTRPV1NPC1RAB9A
SCHEMBL13544289 0.85 MCHR1 (0.38) MCHR1HTR2CTRPV1NPC1RAB9A
SCHEMBL13544280 0.84 MEN1 (0.42) MCHR1HTR2CTRPV1NPC1RAB9A
SCHEMBL3587387 0.84 BRAF (0.40) MCHR1HTR2CTRPV1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP claimed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO claimed