SCHEMBL3900261

SCHEMBL3900261

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C(=O)NCCOc3cccc(C#N)c3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.55
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
POLB P06746 2/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
CXCR3 P49682 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MGLL Q99685 1/20 0.43
MAOB P27338 1/20 0.43
KLKB1 P03952 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL3902517 0.88 TGM2 (0.46) F10POLBNPC1CASP3RAB9A
SCHEMBL3912286 0.87 F10 (0.60) F10KDM4EPKM
SCHEMBL3903134 0.87 F10 (0.71) F10POLBNPC1RAB9ACXCR3
SCHEMBL3900481 0.87 MGLL (0.55) F10POLBNPC1CASP3RAB9A
SCHEMBL3909028 0.87 F10 (0.43) F10CCNCCDK8POLBNPC1
SCHEMBL3974111 0.83 EPHX2 (0.49) F10NPC1RAB9AMGLLALDH1A1
SCHEMBL222011 0.80 GPR119 (0.53) CCNCCDK8POLBMEN1KMT2A
SCHEMBL3911528 0.80 RAB9A (0.50) F10POLBNPC1CASP3RAB9A
SCHEMBL3897181 0.79 F10 (0.60) F10POLBNPC1CASP3RAB9A
SCHEMBL3901290 0.78 POLB (0.59) F10POLBNPC1CASP3RAB9A

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