SCHEMBL877924

SCHEMBL877924

COC1=CC(OC(=O)O)ON1[C@@H]1CCc2ccc(C(=O)N(C)C3CCN(c4ccnc(C)c4)CC3)cc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.36
F2 P00734 1/20 0.35
PLAT P00750 1/20 0.35
KLKB1 P03952 1/20 0.35
POLB P06746 1/20 0.32
GHSR Q92847 1/20 0.31
KDM4A O75164 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
DRD2 P14416 1/20 0.30
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL877832 0.87 POLB (0.32) POLBKDM4AKDM4CEGLN1DRD2
SCHEMBL876281 0.86 F10 (0.37) F10F2PLATKLKB1POLB
SCHEMBL877923 0.79 F10 (0.37) F10F2PLATKLKB1POLB
SCHEMBL876280 0.78 F10 (0.39) F10F2PLATKLKB1POLB
SCHEMBL878301 0.77 CCR5 (0.35) F10POLBDRD2
SCHEMBL15589877 0.77 OPRD1 (0.34) POLBKDM4AKDM4CEGLN1DRD2
SCHEMBL877845 0.74 F10 (0.35) F10F2PLATKLKB1POLB
SCHEMBL785347 0.73 WDR5 (0.40) F10F2PLATKLKB1USP30
SCHEMBL877844 0.73 F10 (0.37) F10F2PLATKLKB1POLB
SCHEMBL784620 0.71 WDR5 (0.42) F10F2PLATKLKB1POLB

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