SCHEMBL470601

SCHEMBL470601

C[C@H](Oc1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](c3cc(F)ccc3F)C2)nc1)C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.38
GRM4 Q14833 1/20 0.34
WDR5 P61964 2/20 0.34
NR1H2 P55055 1/20 0.34
F2R P25116 1/20 0.34
NPY5R Q15761 3/20 0.33
ACACB O00763 2/20 0.33
KDM4D Q6B0I6 1/20 0.33
RET P07949 2/20 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
SCHEMBL458009 0.92 DPP4 (0.35) GRM4NR1H2F2RACACBRET
SCHEMBL460032 0.88 NTRK1 (0.38) NTRK1RET
SCHEMBL470564 0.87 NTRK1 (0.36) NTRK1GRM4NR1H2NPY5RACACB
SCHEMBL12064702 0.86 MDM4 (0.36) GRM4WDR5
SCHEMBL470608 0.85 NTRK1 (0.37) NTRK1NR1H2NPY5RRET
SCHEMBL12064739 0.85 NTRK1 (0.35) NTRK1GRM4NR1H2RET
SCHEMBL470523 0.84 NTRK1 (0.35) NTRK1NR1H2KDM4DRET
SCHEMBL12064782 0.84 PDE4B (0.42) NTRK1NR1H2NPY5R
SCHEMBL470735 0.83 NTRK1 (0.42) NTRK1NR1H2F2RNPY5RKDM4D
SCHEMBL463106 0.82 NTRK1 (0.35) NTRK1RET

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