SCHEMBL18654640

SCHEMBL18654640

OC(Nc1cncc(F)c1)c1cnc2ccc(N3CCCC3C(F)(F)F)nn12

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.42

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
SCHEMBL14897267 0.81 NTRK1 (0.46) NTRK1
SCHEMBL18654825 0.76 MAPT (0.35) NTRK1
SCHEMBL14897147 0.73 NTRK1 (0.39) NTRK1
SCHEMBL18654537 0.73 NTRK1 (0.40) NTRK1
SCHEMBL14881453 0.72 NTRK1 (0.44) NTRK1
SCHEMBL14897403 0.69 NTRK1 (0.45) NTRK1
SCHEMBL14881516 0.69 LMNA (0.43) NTRK1
SCHEMBL14897003 0.69 LMNA (0.43) NTRK1
SCHEMBL18654877 0.68 PIM1 (0.36) NTRK1
SCHEMBL14897711 0.68 NTRK1 (0.49) 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-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
Send feedback