SCHEMBL470570

SCHEMBL470570

Bc1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](c3cc(F)ccc3F)C2)nc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.43
F2R P25116 1/20 0.37
NPY5R Q15761 4/20 0.36
NR1H2 P55055 1/20 0.36
RET P07949 2/20 0.36
DPP4 P27487 1/20 0.35
KDM1A O60341 1/20 0.35
RORC P51449 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
SCHEMBL470735 0.92 NTRK1 (0.42) NTRK1F2RNPY5RNR1H2RET
SCHEMBL610961 0.91 NTRK1 (0.41) NTRK1F2RNPY5RNR1H2RET
SCHEMBL457722 0.91 NTRK1 (0.41) NTRK1F2RNPY5RNR1H2RET
SCHEMBL457724 0.91 NTRK1 (0.41) NTRK1F2RNPY5RNR1H2RET
SCHEMBL458712 0.91 NTRK1 (0.41) NTRK1F2RNPY5RNR1H2RET
SCHEMBL14722979 0.90 NTRK1 (0.41) NTRK1F2RNPY5RNR1H2RET
SCHEMBL6128115 0.90 NTRK1 (0.41) NTRK1F2RNPY5RNR1H2RET
SCHEMBL14723522 0.89 NR1H2 (0.42) NTRK1F2RNPY5RNR1H2RET
SCHEMBL609161 0.88 AAK1 (0.41) NTRK1RETDPP4RORC
SCHEMBL470545 0.88 NTRK1 (0.39) NTRK1F2RNPY5RNR1H2RET

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
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
WO-2010103335-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed