SCHEMBL2587059

SCHEMBL2587059

Fc1cnc(N2CCC(Oc3cccc(C4=CCNCC4)c3)CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.41
SIGMAR1 Q99720 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
MET P08581 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
SCD O00767 3/20 0.36
KHK P50053 1/20 0.36
SCN9A Q15858 1/20 0.35
CYP2D6 P10635 1/20 0.35
INPPL1 O15357 1/20 0.35
CHRM4 P08173 1/20 0.35

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
SCHEMBL2594071 0.80 SCD (0.37) METTLR9TLR7SCDKHK
SCHEMBL16015962 0.70 SIGMAR1 (0.37) HTR2CSIGMAR1METTLR9TLR7
SCHEMBL2583777 0.68 GPR119 (0.41)
SCHEMBL4789465 0.68 HTR2C (0.66) HTR2CSIGMAR1KHK
SCHEMBL7394377 0.67 HTR2C (0.60) HTR2CSIGMAR1
Hydrochloric Acid SCHEMBL9532611 0.67 HTR2C (0.67) HTR2CSIGMAR1KHK
SCHEMBL11524342 0.66 HTR2C (0.56) HTR2CSIGMAR1TLR9TLR7INPPL1
SCHEMBL2590930 0.66 HTR2C (0.47) HTR2CSCDSCN9A
SCHEMBL13128831 0.66 SCD (0.38) SIGMAR1SCD
Hydrochloric Acid SCHEMBL4789235 0.66 HTR2C (0.61) HTR2CSIGMAR1

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