SCHEMBL13627744

SCHEMBL13627744

CCOC(=O)[C@@H]1CCN(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2C)C1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.76
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL3162954 1.00 TACR1 (0.76) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL13637618 0.88 TACR1 (0.77) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL13637621 0.88 TACR1 (0.77) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL13627628 0.87 TACR1 (0.81) TACR1
SCHEMBL13627632 0.87 TACR1 (0.81) TACR1
SCHEMBL3164125 0.87 TACR1 (0.73) TACR1
SCHEMBL13627630 0.87 TACR1 (0.81) TACR1
SCHEMBL13627629 0.87 TACR1 (0.81) TACR1
SCHEMBL3163349 0.86 TACR1 (0.83) TACR1
SCHEMBL13451657 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 1 patent. 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