SCHEMBL4069082

SCHEMBL4069082

OC[C@H](Nc1nc(NCCCN2CCCC2)c(Cl)c(Nc2cc(C3CC3)n[nH]2)n1)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 15/20 0.61
SCN5A Q14524 1/20 0.36
METAP1 P53582 1/20 0.35
ACP1 P24666 2/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL4072146 0.90 NTRK1 (0.57) NTRK1
SCHEMBL3338099 0.89 NTRK1 (0.78) NTRK1HTR2A
SCHEMBL4072724 0.88 NTRK1 (0.61) NTRK1
SCHEMBL4156133 0.87 NTRK1 (0.80) NTRK1
SCHEMBL4068820 0.85 NTRK1 (0.54) NTRK1
SCHEMBL4070715 0.84 NTRK1 (0.55) NTRK1
SCHEMBL27654738 0.84 NTRK1 (0.55) NTRK1
SCHEMBL4072903 0.84 NTRK1 (0.54) NTRK1
SCHEMBL4068018 0.83 NTRK1 (0.64) NTRK1
SCHEMBL4071059 0.83 NTRK1 (0.64) NTRK1

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
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed