SCHEMBL2716212

SCHEMBL2716212

Cc1nc(NC(=O)N2CCN(c3nccnc3OCc3ccnc(N)n3)CC2)cc(C(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.39
▸ TRPV1 Q8NER1 4/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ PI4KB Q9UBF8 3/20 0.35
▸ P2RY12 Q9H244 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.34
▸ RBP4 P02753 1/20 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
SCHEMBL2716221 0.89 CNR2 (0.37) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2718774 0.89 CNR2 (0.43) CNR2TRPV1DRD2DRD3TRPA1
SCHEMBL4562325 0.80 TRPV1 (0.40) TRPV1TRPA1KCNH2TRPM8HCAR2
SCHEMBL2718886 0.80 CNR2 (0.40) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2720162 0.80 NPSR1 (0.37) TRPV1P2RY12RBP4
SCHEMBL2384227 0.79 PI4KB (0.50) TRPV1PI4KBP2RY12HCAR2
SCHEMBL2716167 0.79 GAA (0.41) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2718449 0.79 CNR2 (0.40) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2385334 0.79 PDGFRB (0.42) KCNH2PI4KBP2RY12
SCHEMBL2384683 0.79 PDGFRB (0.45) TRPV1P2RY12

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
WO-2012061337-A1 FGFR2 MODULATORS EXELIXIS, INC. (US) 2012-05-10 — — WO disclosed
Send feedback