SCHEMBL13627692

SCHEMBL13627692

Cc1cc(F)ccc1[C@H]1C[C@@H](Sc2cc(O)cc(O)c2)CCN1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.72
CYP3A4 P08684 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL13627691 1.00 TACR1 (0.72) TACR1CYP3A4SIGMAR1
SCHEMBL13627756 0.89 TACR1 (0.79) TACR1
SCHEMBL13627753 0.87 TACR1 (0.77) TACR1CYP3A4SIGMAR1
SCHEMBL13627757 0.86 TACR1 (0.75) TACR1CYP3A4SIGMAR1
SCHEMBL13627758 0.85 TACR1 (0.73) TACR1
SCHEMBL3163349 0.84 TACR1 (0.83) TACR1
SCHEMBL13451384 0.84 TACR1 (1.00) TACR1
SCHEMBL13627558 0.84 TACR1 (1.00) TACR1
SCHEMBL13451657 0.84 TACR1 (0.83) TACR1
SCHEMBL5499015 0.84 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed