SCHEMBL14101738

SCHEMBL14101738

Bc1ccc(C(F)(F)F)c(-n2nc(-c3cc(OC)cc(OC)c3)c3c(c2=O)NCC3)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.33
GRM7 Q14831 1/20 0.32
NTRK1 P04629 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
F10 P00742 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
SCHEMBL4720876 0.90 CYP11B1 (0.33) LRRK2GRM7NTRK1ALPLALPI
SCHEMBL4764976 0.89 CNR1 (0.34) LRRK2GRM7NTRK1ALPLALPI
SCHEMBL4719266 0.89 LRRK2 (0.33) LRRK2GRM7NTRK1ALPLALPI
SCHEMBL4722103 0.88 L3MBTL1 (0.35) GRM7ALPLALPI
SCHEMBL4724987 0.86 F10 (0.40) LRRK2F10
SCHEMBL4724951 0.84 NTRK1 (0.32) LRRK2GRM7NTRK1
SCHEMBL4721216 0.84 F10 (0.32) LRRK2ALPLALPIF10
SCHEMBL4718926 0.82 F10 (0.32) GRM7F10
SCHEMBL4724753 0.82 BRAF (0.33) NTRK1F10
SCHEMBL4718899 0.81 CYP11B2 (0.44) GRM7CYP11B1CYP11B2

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed