SCHEMBL4723643

SCHEMBL4723643

CC(C)(C)OC(=O)ON1CCC(Oc2cc(Nc3ccc(Cl)nc3)ncn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.38
CDK2 P24941 1/20 0.38
CDK6 Q00534 1/20 0.38
GPR119 Q8TDV5 10/20 0.38
S1PR1 P21453 1/20 0.36
CACNB4 O00305 2/20 0.34
CACNA1A O00555 2/20 0.34
CACNA1G O43497 2/20 0.34
CACNG3 O60359 2/20 0.34
CACNA1F O60840 2/20 0.34
CACNA1H O95180 2/20 0.34
CACNB3 P54284 2/20 0.34
CACNA2D1 P54289 2/20 0.34
CACNG7 P62955 2/20 0.34
CACNA1B Q00975 2/20 0.34
CACNA1D Q01668 2/20 0.34
CACNB1 Q02641 2/20 0.34
CACNG1 Q06432 2/20 0.34
CACNB2 Q08289 2/20 0.34
CACNA1S Q13698 2/20 0.34

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
SCHEMBL4720846 0.90 GPR119 (0.41) FLT3CDK2CDK6GPR119S1PR1
SCHEMBL4720714 0.90 GPR119 (0.40) FLT3CDK2CDK6GPR119EGFR
SCHEMBL389346 0.88 GPR119 (0.49) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL4719349 0.87 GPR119 (0.46) FLT3CDK2CDK6GPR119
SCHEMBL4719099 0.87 GPR119 (0.37) FLT3CDK2CDK6GPR119S1PR1
SCHEMBL4722114 0.85 GPR119 (0.38) FLT3CDK2CDK6GPR119S1PR1
SCHEMBL4719883 0.84 GPR119 (0.51) FLT3CDK2CDK6GPR119S1PR1
SCHEMBL4721923 0.84 GPR119 (0.39) FLT3CDK2CDK6GPR119KDR
SCHEMBL4765405 0.84 KDR (0.44) FLT3CDK2CDK6GPR119KDR
SCHEMBL4723304 0.83 GPR119 (0.42) FLT3CDK2CDK6GPR119KDR

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
EP-1756084-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2008-11-26 EP claimed