SCHEMBL4330504

SCHEMBL4330504

O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1[C@@H]2CN(c3ccc(F)cc3F)C[C@@H]21

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.48
EPHX2 P34913 15/20 0.47
USP30 Q70CQ3 1/20 0.45

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
SCHEMBL13783957 0.80 RAB9A (0.54)
SCHEMBL4450022 0.80 RAB9A (0.54)
SCHEMBL4450024 0.80 RAB9A (0.54)
SCHEMBL4451608 0.79 CASP3 (0.43) MTOR
SCHEMBL13783979 0.79 CASP3 (0.43) MTOR
SCHEMBL4451601 0.79 CASP3 (0.43) MTOR
SCHEMBL4462424 0.78 KDM4E (0.47)
SCHEMBL13784016 0.78 KDM4E (0.47)
SCHEMBL4462419 0.78 KDM4E (0.47)
SCHEMBL13783977 0.78 CCR3 (0.47)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO claimed
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed