SCHEMBL4785279

SCHEMBL4785279

CCOC(=O)c1c(C)nc(-c2cccc(Cl)c2)n1C(C)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.47
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
XPO1 O14980 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ELANE P08246 1/20 0.41
KCNH2 Q12809 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL4787911 0.87 TRPM8 (0.47) TRPM8L3MBTL1MAPTALDH1A1MEN1
SCHEMBL4787840 0.83 MAPK1 (0.40) GABRA2GABRB2MAPTKMT2ANPSR1
SCHEMBL28746466 0.82 TRPM8 (0.53) TRPM8GABRA2GABRB2L3MBTL1MAPT
SCHEMBL29565728 0.82 TRPM8 (0.53) TRPM8GABRA2GABRB2L3MBTL1MAPT
SCHEMBL4909055 0.80 MEN1 (0.40) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL4788567 0.79 GAA (0.51) GABRA2GABRB2L3MBTL1MAPTALDH1A1
SCHEMBL4787716 0.77 SMN1; SMN2 (0.48) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL4788014 0.74 MAPT (0.41) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL28800116 0.71 GABRA2 (0.52) TRPM8GABRA2GABRB2MAPTALDH1A1
SCHEMBL29800446 0.71 GABRA2 (0.52) TRPM8GABRA2GABRB2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008111794-A1 4-METHYLIMIDAZOL-5-YLCARBONYLGUANIDINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE ISCHEMIC HEART DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESERACH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-09-18 WO disclosed