SCHEMBL4772502

SCHEMBL4772502

CC(C)(C)OC(=O)N1C2CCC1CC(O)C2.CC(C)(C)OC(=O)N1C2CCC1CC(Oc1ccc([N+](=O)[O-])cc1)C2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
CHRM3 P20309 1/20 0.57
GPR119 Q8TDV5 11/20 0.50
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.45
HSD11B1 P28845 1/20 0.40
EPHX2 P34913 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
PREP P48147 1/20 0.38
MCL1 Q07820 1/20 0.37

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
SCHEMBL4167160 0.96 GPR119 (0.53) CHRM2CHRM1CHRM3GPR119ALDH1A1
SCHEMBL4172068 0.96 GPR119 (0.53) CHRM2CHRM1CHRM3GPR119ALDH1A1
SCHEMBL4172065 0.96 GPR119 (0.53) CHRM2CHRM1CHRM3GPR119ALDH1A1
SCHEMBL16390912 0.91 GPR119 (0.51) CHRM2CHRM1CHRM3GPR119ALDH1A1
SCHEMBL16390913 0.91 GPR119 (0.51) CHRM2CHRM1CHRM3GPR119ALDH1A1
SCHEMBL2454639 0.81 POLB (0.71) CHRM2CHRM1CHRM3GPR119ALDH1A1
SCHEMBL31050717 0.81 POLB (0.71) CHRM2CHRM1CHRM3GPR119ALDH1A1
SCHEMBL2454638 0.81 POLB (0.71) CHRM2CHRM1CHRM3GPR119ALDH1A1
SCHEMBL20989256 0.81 CHRM2 (0.55) CHRM2CHRM1CHRM3GPR119ALDH1A1
SCHEMBL21526582 0.81 CHRM2 (0.55) CHRM2CHRM1CHRM3GPR119ALDH1A1

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-1987042-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS sanofi-aventis (FR) 2008-11-05 EP disclosed
WO-2007093365-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed