SCHEMBL13622996

SCHEMBL13622996

Nc1cc(-c2cnc3ccc(N4CCCC4c4cc(F)ccc4F)nn23)ccc1N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.62

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
SCHEMBL12500135 0.94 NTRK1 (0.62) NTRK1
SCHEMBL13623000 0.91 NTRK1 (0.62) NTRK1
SCHEMBL1430788 0.89 NTRK1 (0.66) NTRK1
SCHEMBL13622992 0.89 NTRK1 (0.65) NTRK1
SCHEMBL1430761 0.89 NTRK1 (0.60) NTRK1
SCHEMBL13623106 0.88 NTRK1 (0.57) NTRK1
SCHEMBL13622973 0.87 NTRK1 (0.68) NTRK1
SCHEMBL13623110 0.87 NTRK1 (0.61) NTRK1
SCHEMBL1430992 0.87 NTRK1 (0.59) NTRK1
SCHEMBL13622998 0.87 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
WO-2009140128-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-11-19 WO disclosed