SCHEMBL3401038

SCHEMBL3401038

CCC(O)(c1ccccc1)C(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
HIF1A Q16665 1/20 0.39
TRPA1 O75762 1/20 0.38
KCNA5 P22460 1/20 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
SCHEMBL27976218 0.82 CYP2C19 (0.44) LMNAALDH1A1CYP2D6CYP2C19HSD17B10
SCHEMBL12238644 0.82 CYP2C19 (0.44) ALDH1A1CYP2D6CYP2C19HSD17B10MEN1
SCHEMBL8609442 0.81 LMNA (0.45) LMNAALDH1A1CYP2D6MEN1KMT2A
SCHEMBL16685441 0.79 MEN1 (0.48) LMNAMEN1KMT2ANPC1
SCHEMBL7914381 0.78 CYP2C19 (0.46) LMNAALDH1A1CYP2D6CYP2C19HSD17B10
SCHEMBL8235740 0.78 LMNA (0.45) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL19381479 0.78 LMNA (0.45) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL3098091 0.76 LMNA (0.43) LMNAKDM4EADRA2AADRA2CHIF1A
SCHEMBL2238856 0.75 ALDH1A1 (0.50) LMNAALDH1A1CYP2D6CYP2C19HSD17B10
SCHEMBL13339074 0.75 ALDH1A1 (0.50) LMNAALDH1A1CYP2D6CYP2C19HSD17B10

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-2250156-A1 PYRAZINONE DERIVATIVES AS INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2010-11-17 EP disclosed
WO-2009109259-A1 PYRAZINONE DERIVATIVES AS INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2009-09-11 WO disclosed