SCHEMBL13637835

SCHEMBL13637835

CNC(=O)N1CCC(OCc2cc(CF)cc(C(F)(F)F)c2)C(c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 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
SCHEMBL4478748 0.94 TACR1 (0.58) TACR1
SCHEMBL4480409 0.94 TACR1 (0.58) TACR1
SCHEMBL4478751 0.94 TACR1 (0.58) TACR1
SCHEMBL4480417 0.94 TACR1 (0.58) TACR1
SCHEMBL4478745 0.94 TACR1 (0.58) TACR1
SCHEMBL13629800 0.94 TACR1 (0.58) TACR1
SCHEMBL4476908 0.85 TACR1 (0.56) TACR1
SCHEMBL4476902 0.85 TACR1 (0.56) TACR1
SCHEMBL4476897 0.85 TACR1 (0.56) TACR1
SCHEMBL4467959 0.85 TACR1 (0.58) 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-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed