SCHEMBL4368170

SCHEMBL4368170

CCOC(=O)c1nocc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
TSHR P16473 2/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KDM4E B2RXH2 2/20 0.51
CDC7 O00311 1/20 0.46
DBF4 Q9UBU7 1/20 0.46
TARBP2 Q15633 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
GABRA2 P47869 5/20 0.44
GABRB2 P47870 5/20 0.44
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL9586141 0.84 MAPT (0.51) MAPTTSHRPOLBKDM4ECDC7
SCHEMBL406826 0.83 KCNMA1 (0.48) MAPTTSHRNPC1SMN1; SMN2POLB
SCHEMBL9585857 0.83 TARBP2 (0.56) MAPTTSHRNPC1SMN1; SMN2POLB
SCHEMBL405091 0.81 KCNMA1 (0.46) MAPTSMN1; SMN2TARBP2NPSR1GABRA2
SCHEMBL9586903 0.81 L3MBTL1 (0.50) MAPTTARBP2GABRA2GABRB2ALDH1A1
SCHEMBL4372570 0.79 ALPL (0.46) TSHRNPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL17261736 0.79 MAPT (0.51) MAPTTSHRNPC1SMN1; SMN2POLB
SCHEMBL955251 0.78 MAPT (0.52) MAPTTSHRNPC1SMN1; SMN2POLB
SCHEMBL17261761 0.77 MAPT (0.49) MAPTTSHRNPC1SMN1; SMN2POLB
SCHEMBL2305862 0.76 ELANE (0.44) MAPTTSHRNPC1SMN1; SMN2POLB

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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed