SCHEMBL3909028

SCHEMBL3909028

CC(C)(C)OC(=O)N1CCC(=Cc2ccc(C(=O)NCCOc3cccc(C#N)c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
POLB P06746 2/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
CYP1A2 P05177 1/20 0.41
GRM5 P41594 1/20 0.41
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
RECQL P46063 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MGLL Q99685 1/20 0.38
NAMPT P43490 2/20 0.38

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
SCHEMBL3900261 0.87 F10 (0.55) F10RAB9ANPC1POLBCASP3
SCHEMBL3912286 0.83 F10 (0.60) F10KDM4EPKM
SCHEMBL3900481 0.82 MGLL (0.55) F10RAB9ANPC1POLBCASP3
SCHEMBL3902517 0.82 TGM2 (0.46) F10RAB9ANPC1POLBCASP3
SCHEMBL3974111 0.79 EPHX2 (0.49) F10RAB9ANPC1PKMSMN1; SMN2
SCHEMBL6393733 0.79 GRM5 (0.51) CYP1A2GRM5MGLL
SCHEMBL16113475 0.76 GPR119 (0.53) CYP1A2GRM5
SCHEMBL3911528 0.76 RAB9A (0.50) F10RAB9ANPC1POLBCASP3
SCHEMBL14132170 0.76 F10 (0.69) F10POLB
SCHEMBL3897181 0.75 F10 (0.60) F10RAB9ANPC1POLBCASP3

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