SCHEMBL876778

SCHEMBL876778

O=C(O)OC1=CN(C2CCc3ccc(C(=O)NCCC4CCN(c5ccncc5)CC4)cc32)CC=C1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.39
F10 P00742 15/20 0.38
CETP P11597 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
SCHEMBL876437 0.84 F10 (0.33) F10
SCHEMBL878284 0.80 F10 (0.39) BDKRB1F10
SCHEMBL876499 0.80 SLC2A1 (0.35) F10
SCHEMBL877792 0.78 BDKRB1 (0.40) BDKRB1F10CETP
SCHEMBL875680 0.78 F10 (0.33) F10
SCHEMBL878283 0.78 BDKRB1 (0.40) BDKRB1F10
SCHEMBL785901 0.75 BDKRB1 (0.47) BDKRB1F10
SCHEMBL878327 0.75 TLR9 (0.36) F10
SCHEMBL876160 0.72 F10 (0.33) F10
SCHEMBL784683 0.72 BDKRB1 (0.43) BDKRB1F10

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 4 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
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed