SCHEMBL5493710

SCHEMBL5493710

Cc1cc(F)ccc1[C@H]1C[C@H](O)CCN1C(=O)N(C)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.71
CYP3A4 P08684 2/20 0.53
SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL3163349 0.92 TACR1 (0.83) TACR1
SCHEMBL5495988 0.92 TACR1 (0.83) TACR1
SCHEMBL13627531 0.92 TACR1 (0.83) TACR1
SCHEMBL13451657 0.92 TACR1 (0.83) TACR1
SCHEMBL5499015 0.92 TACR1 (0.83) TACR1
SCHEMBL5497890 0.90 TACR1 (0.70) TACR1CYP3A4SIGMAR1
SCHEMBL5498860 0.90 TACR1 (0.63) TACR1CYP3A4SIGMAR1
SCHEMBL5496528 0.90 TACR1 (0.69) TACR1CYP3A4SIGMAR1
SCHEMBL5491515 0.90 TACR1 (0.69) TACR1CYP3A4SIGMAR1
SCHEMBL5497762 0.88 TACR1 (0.67) TACR1CYP3A4SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513814-A4 NOVEL PIPERIDINE COMPOUND TANABE SEIYAKU CO (JP) 2007-03-14 EP disclosed
EP-1513814-A1 NOVEL PIPERIDINE COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2005-03-16 EP disclosed
WO-2003099787-A1 NOVEL PIPERIDINE COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2003-12-04 WO disclosed