SCHEMBL3971725

SCHEMBL3971725

N#Cc1cccc(OCCNC(=O)C2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 8/20 0.65
CHRM2 P08172 3/20 0.60
CHRM1 P11229 2/20 0.60
CCR8 P51685 1/20 0.56
CXCR3 P49682 1/20 0.56
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PKM P14618 1/20 0.54
EPHX2 P34913 1/20 0.54

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
SCHEMBL3964336 0.85 NPC1 (0.54) CHRM4CXCR3NPC1RAB9ASMN1; SMN2
SCHEMBL14132161 0.84 F10 (0.67) CHRM4CHRM2CHRM1CCR8NPC1
SCHEMBL3968898 0.83 HPGD (0.63) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL3964755 0.83 NPSR1 (0.53) CHRM4CHRM2CHRM1NPC1RAB9A
SCHEMBL3963855 0.82 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2PKMEPHX2
Trifluoroacetic Acid SCHEMBL3968459 0.80 F10 (0.62) CHRM4CHRM2CHRM1CCR8
SCHEMBL3974111 0.80 EPHX2 (0.49) CHRM4NPC1RAB9ASMN1; SMN2PKM
SCHEMBL3971956 0.80 F10 (0.73) CHRM4
SCHEMBL29432103 0.79 CHRM4 (1.00) CHRM4CHRM2CHRM1
SCHEMBL12685848 0.78 CHRM4 (0.67) CHRM4PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed