SCHEMBL3635138

SCHEMBL3635138

CNC1[C]CN(c2ccccn2)C(C(N)=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.36
HSD17B10 Q99714 4/20 0.36
CYP2D6 P10635 3/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
PBRM1 Q86U86 2/20 0.35
NR1I2 O75469 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
GRM5 P41594 1/20 0.33

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
SCHEMBL5616791 0.76 GPR119 (0.37) GRM1HSD17B10PBRM1NR1I2ADRA1A
SCHEMBL29200964 0.73 GRM1 (0.41) GRM1HSD17B10CYP2D6CYP3A4PBRM1
SCHEMBL10353108 0.71 ELANE (0.49) GRM1HSD17B10OPRK1ALDH1A1KDM4E
SCHEMBL31028552 0.71 ELANE (0.49) GRM1HSD17B10OPRK1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL29659031 0.70 ELANE (0.48) GRM1HSD17B10OPRK1ALDH1A1KDM4E
SCHEMBL3104046 0.69 L3MBTL1 (0.45) GRM1CYP2C19ALDH1A1KDM4EPOLB
SCHEMBL2888907 0.69 ALDH1A1 (0.40) HSD17B10CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL3904460 0.64 HRH3 (0.39) GRM1HSD17B10TSHROPRK1HTR2B
SCHEMBL3153895 0.64 ALDH1A1 (0.43) HSD17B10CYP3A4MAPK1ALDH1A1KDM4E
SCHEMBL3154401 0.64 ALDH1A1 (0.43) HSD17B10CYP3A4MAPK1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed