SCHEMBL458442

SCHEMBL458442

CCc1ccc(C(Oc2cnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](c4cc(F)c(F)cc4F)C3)nc2)C2CCNCC2)nn1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.32
GRM4 Q14833 1/20 0.31

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
SCHEMBL458444 1.00 RET (0.32) RETGRM4
SCHEMBL458009 0.85 DPP4 (0.35) RETGRM4
SCHEMBL458011 0.80 ACACB (0.35) RET
SCHEMBL470601 0.79 NTRK1 (0.38) RETGRM4
SCHEMBL458443 0.78
SCHEMBL14730264 0.76 HPGDS (0.38)
SCHEMBL14730281 0.76 MAOA (0.32) RET
SCHEMBL457627 0.75 DPP4 (0.34) RETGRM4
SCHEMBL470550 0.75 DPP4 (0.35) RETGRM4
SCHEMBL6128140 0.75 GPR119 (0.36)

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-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed