SCHEMBL470545

SCHEMBL470545

Bc1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](c3cc(F)ccc3F)C2)nc1OC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.39
DPP4 P27487 2/20 0.36
NR1H2 P55055 1/20 0.35
F2R P25116 1/20 0.34
PDE4B Q07343 2/20 0.34
RET P07949 4/20 0.34
NPY5R Q15761 4/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
EIF2AK4 Q9P2K8 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL459304 0.90 NTRK1 (0.40) NTRK1DPP4NR1H2F2RPDE4B
SCHEMBL470570 0.88 NTRK1 (0.43) NTRK1DPP4NR1H2F2RRET
SCHEMBL470735 0.85 NTRK1 (0.42) NTRK1DPP4NR1H2F2RRET
SCHEMBL12064789 0.85 NTRK1 (0.40) NTRK1DPP4NR1H2F2RRET
SCHEMBL462557 0.85 PDE4B (0.38) NTRK1DPP4NR1H2PDE4BRET
SCHEMBL462558 0.85 PDE4B (0.38) NTRK1DPP4NR1H2PDE4BRET
SCHEMBL14723522 0.84 NR1H2 (0.42) NTRK1DPP4NR1H2F2RPDE4B
SCHEMBL610961 0.84 NTRK1 (0.41) NTRK1DPP4NR1H2F2RRET
SCHEMBL457724 0.84 NTRK1 (0.41) NTRK1DPP4NR1H2F2RRET
SCHEMBL457722 0.84 NTRK1 (0.41) NTRK1DPP4NR1H2F2RRET

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