SCHEMBL18655168

SCHEMBL18655168

Cc1nc2ccc(N3CCC[C@H]3C(F)(F)F)nn2c1C(O)Nc1cccnn1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 2/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ NTRK1 P04629 2/20 0.30
▸ MAP4K1 Q92918 1/20 0.30

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
SCHEMBL14897815 0.81 AADAT (0.34) AADATPDE10ANTRK1
SCHEMBL14897150 0.81 AADAT (0.34) AADATPDE10ANTRK1
SCHEMBL18655071 0.77 GBA1 (0.33) —
SCHEMBL14896812 0.72 NTRK1 (0.41) NTRK1
SCHEMBL14897796 0.72 GRM5 (0.39) NTRK1
SCHEMBL14897395 0.69 LMNA (0.43) NTRK1
SCHEMBL14897839 0.67 NTRK1 (0.40) NTRK1
SCHEMBL14897748 0.67 NTRK1 (0.40) NTRK1
SCHEMBL14897091 0.65 GLS (0.41) NTRK1
SCHEMBL18654799 0.64 PIM1 (0.40) 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
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