SCHEMBL878284

SCHEMBL878284

O=C(O)OC1=CN=CN(C2CCc3ccc(C(=O)NCCC4CCN(c5ccncc5)CC4)cc32)C1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.39
BDKRB1 P46663 5/20 0.39

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
SCHEMBL878508 0.81 F10 (0.34) F10
SCHEMBL876778 0.80 BDKRB1 (0.39) F10BDKRB1
SCHEMBL878283 0.78 BDKRB1 (0.40) F10BDKRB1
SCHEMBL877792 0.77 BDKRB1 (0.40) F10BDKRB1
SCHEMBL785901 0.77 BDKRB1 (0.47) F10BDKRB1
SCHEMBL876131 0.77 POLB (0.34) F10
SCHEMBL875758 0.75 F10 (0.34) F10
SCHEMBL784683 0.74 BDKRB1 (0.43) F10BDKRB1
SCHEMBL803947 0.73 F10 (0.48) F10BDKRB1
SCHEMBL785163 0.72 BDKRB1 (0.42) F10BDKRB1

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