SCHEMBL5493672

SCHEMBL5493672

Cc1cc(F)ccc1[C@H]1C[C@@H](NC(=O)CO)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 20/20 0.71
CYP3A4 P08684 1/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL13637749 0.93 TACR1 (0.83) TACR1
SCHEMBL13637424 0.93 TACR1 (0.83) TACR1
SCHEMBL13637426 0.93 TACR1 (0.83) TACR1
SCHEMBL13637750 0.93 TACR1 (0.83) TACR1
SCHEMBL5499963 0.88 TACR1 (0.69) TACR1CYP3A4SIGMAR1
SCHEMBL5491540 0.87 TACR1 (0.69) TACR1CYP3A4SIGMAR1
SCHEMBL5491515 0.87 TACR1 (0.69) TACR1CYP3A4SIGMAR1
SCHEMBL5493710 0.87 TACR1 (0.71) TACR1CYP3A4SIGMAR1
SCHEMBL13627615 0.86 TACR1 (0.83) TACR1
SCHEMBL13627614 0.86 TACR1 (0.83) TACR1

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