SCHEMBL3974111

SCHEMBL3974111

CC(C)(C)OC(=O)N1CCC(C(=O)NCCOc2cccc(C#N)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.49
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
STS P08842 3/20 0.47
GPR119 Q8TDV5 2/20 0.47
F10 P00742 1/20 0.47
MGLL Q99685 4/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CHRM4 P08173 1/20 0.44

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
SCHEMBL3964755 0.86 NPSR1 (0.53) EPHX2NPC1PKMRAB9ASMN1; SMN2
SCHEMBL3912286 0.84 F10 (0.60) EPHX2PKMGPR119F10
SCHEMBL3964336 0.84 NPC1 (0.54) EPHX2NPC1PKMRAB9ASMN1; SMN2
SCHEMBL3900481 0.84 MGLL (0.55) NPC1PKMRAB9AGPR119F10
SCHEMBL3249543 0.83 MGLL (0.57) GPR119MGLL
SCHEMBL3900261 0.83 F10 (0.55) NPC1PKMRAB9ASMN1; SMN2F10
SCHEMBL3895250 0.82 GPR119 (0.58) EPHX2GPR119F10MGLL
SCHEMBL3963855 0.82 SMN1; SMN2 (0.57) EPHX2NPC1PKMRAB9ASMN1; SMN2
SCHEMBL29502337 0.80 GPR119 (0.50) GPR119MGLL
SCHEMBL29502295 0.80 GPR119 (0.50) GPR119MGLL

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