SCHEMBL877792

SCHEMBL877792

O=C(O)C1=C(C(F)(F)F)C=CN(C2CCc3ccc(C(=O)NCCC4CCN(c5ccncc5)CC4)cc32)C1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.40
F10 P00742 11/20 0.39
CHRM2 P08172 1/20 0.37
SLC2A1 P11166 1/20 0.37
CETP P11597 1/20 0.37
CHRM4 P08173 1/20 0.36

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
SCHEMBL876436 0.83 SLC2A1 (0.35) F10SLC2A1
SCHEMBL878283 0.79 BDKRB1 (0.40) BDKRB1F10
SCHEMBL876498 0.79 SLC2A1 (0.38) F10SLC2A1
SCHEMBL876778 0.78 BDKRB1 (0.39) BDKRB1F10CETP
SCHEMBL878284 0.77 F10 (0.39) BDKRB1F10
SCHEMBL875679 0.77 F10 (0.34) F10SLC2A1
SCHEMBL785901 0.77 BDKRB1 (0.47) BDKRB1F10
SCHEMBL784683 0.74 BDKRB1 (0.43) BDKRB1F10CHRM4
SCHEMBL878326 0.73 TLR9 (0.39) F10
SCHEMBL784302 0.73 BDKRB1 (0.43) BDKRB1F10CETP

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-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP claimed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO claimed