SCHEMBL4474397

SCHEMBL4474397

NC(=O)N1CC[C@@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.61

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
SCHEMBL4474405 1.00 TACR1 (0.61) TACR1
SCHEMBL4474402 1.00 TACR1 (0.61) TACR1
SCHEMBL4494070 0.90 TACR1 (0.63) TACR1
SCHEMBL4494062 0.90 TACR1 (0.63) TACR1
SCHEMBL4494065 0.90 TACR1 (0.63) TACR1
SCHEMBL4481905 0.89 TACR1 (0.60) TACR1
SCHEMBL4481911 0.89 TACR1 (0.60) TACR1
SCHEMBL4481901 0.89 TACR1 (0.60) TACR1
SCHEMBL4482590 0.88 TACR1 (0.59) TACR1
SCHEMBL4482593 0.88 TACR1 (0.59) 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-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
EP-1553084-A1 PIPERIDINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP disclosed