SCHEMBL460032

SCHEMBL460032

C[C@H](Oc1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](c3cc(F)ccc3F)C2)nc1)C1CCN(C#N)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.38
RET P07949 10/20 0.37
CTSK P43235 2/20 0.37
USP30 Q70CQ3 2/20 0.35
AAK1 Q2M2I8 2/20 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
SCHEMBL470601 0.88 NTRK1 (0.38) NTRK1RET
SCHEMBL460034 0.87 CHRM2 (0.38) NTRK1RETCTSKUSP30AAK1
SCHEMBL470564 0.86 NTRK1 (0.36) NTRK1RET
SCHEMBL12064739 0.85 NTRK1 (0.35) NTRK1RET
SCHEMBL470608 0.85 NTRK1 (0.37) NTRK1RET
SCHEMBL470523 0.84 NTRK1 (0.35) NTRK1RET
SCHEMBL12064782 0.84 PDE4B (0.42) NTRK1
SCHEMBL12064744 0.84 NTRK1 (0.34) NTRK1RET
SCHEMBL14723139 0.83 USP30 (0.41) NTRK1RETCTSKUSP30AAK1
SCHEMBL14723138 0.83 USP30 (0.41) NTRK1RETCTSKUSP30AAK1

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