SCHEMBL5198740

SCHEMBL5198740

CCNC(=O)N1CCC(C(=O)N2CCC(O[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccccc3)C2)CC1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.66

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
SCHEMBL5198748 1.00 TACR1 (0.66) TACR1
SCHEMBL5198550 0.93 TACR1 (0.72) TACR1
SCHEMBL5198553 0.93 TACR1 (0.72) TACR1
SCHEMBL5199869 0.92 TACR1 (0.60) TACR1
SCHEMBL5199874 0.92 TACR1 (0.60) TACR1
SCHEMBL5199539 0.91 TACR1 (0.64) TACR1
SCHEMBL5198028 0.89 TACR1 (0.57) TACR1
SCHEMBL5198023 0.89 TACR1 (0.57) TACR1
SCHEMBL5197467 0.88 TACR1 (0.77) TACR1
SCHEMBL5199159 0.88 TACR1 (0.77) 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
EP-1790636-A1 PIPERIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-05-30 EP disclosed