SCHEMBL2590930

SCHEMBL2590930

Clc1cnc(N2CCC(Oc3cccc(C4CCNCC4)c3)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.47
GPR119 Q8TDV5 4/20 0.43
GRM7 Q14831 1/20 0.39
HRH1 P35367 1/20 0.38
SCN9A Q15858 1/20 0.38
SCD O00767 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.36
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL2594247 0.78 GPR119 (0.36) GPR119SCDKCNH2
SCHEMBL15000391 0.76 HTR2C (0.65) HTR2CGRM7HRH1
SCHEMBL15393343 0.73 GPR119 (0.46) GPR119SCDKCNH2
SCHEMBL23384871 0.70 HTR2C (0.48) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL30138444 0.70 HTR2C (0.49) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2330910 0.69 GPR119 (0.53) GPR119SCD
SCHEMBL26157259 0.69 ALDH1A1 (0.40) HTR2CKDM4ETSHR
SCHEMBL29994691 0.68 HRH1 (0.62) HTR2CHRH1HTR1ASLC6A2SLC6A4
SCHEMBL2300978 0.68 HRH1 (0.62) HTR2CHRH1HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL71803 0.67 HRH1 (0.61) HTR2CHRH1HTR1ASLC6A2SLC6A4

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-2566860-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS Bristol-Myers Squibb Company (US) 2013-03-13 EP disclosed
WO-2011140160-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 WO disclosed