SCHEMBL460034

SCHEMBL460034

CC(C)(C)OC(=O)NC1CN(c2ncc(OCCC3CCN(C#N)CC3)cn2)CC1c1cc(F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
NTRK1 P04629 3/20 0.38
RET P07949 9/20 0.37
CTSK P43235 2/20 0.37
AAK1 Q2M2I8 2/20 0.36
USP30 Q70CQ3 2/20 0.35
ACACB O00763 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
SCHEMBL460032 0.87 NTRK1 (0.38) NTRK1RETCTSKAAK1USP30
SCHEMBL14723139 0.83 USP30 (0.41) NTRK1RETCTSKAAK1USP30
SCHEMBL14723138 0.83 USP30 (0.41) NTRK1RETCTSKAAK1USP30
SCHEMBL470485 0.83 GPR119 (0.43) CHRM2NTRK1RET
SCHEMBL609161 0.82 AAK1 (0.41) CHRM2NTRK1RETAAK1
SCHEMBL459423 0.81 GPR119 (0.41) NTRK1RET
SCHEMBL470735 0.80 NTRK1 (0.42) NTRK1RET
SCHEMBL148182 0.80 NTRK1 (0.38) NTRK1RET
SCHEMBL148181 0.80 NTRK1 (0.38) NTRK1RET
SCHEMBL458011 0.80 ACACB (0.35) RETACACB

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