SCHEMBL5200147

SCHEMBL5200147

C[C@@H](O[C@H]1CCN(C(=O)C2CCC(C(N)=O)CC2)C[C@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.65

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
SCHEMBL5200143 1.00 TACR1 (0.65) TACR1
SCHEMBL5199741 0.93 TACR1 (0.67) TACR1
SCHEMBL5199745 0.93 TACR1 (0.67) TACR1
Hydrochloric Acid SCHEMBL5197521 0.92 TACR1 (0.64) TACR1
Hydrochloric Acid SCHEMBL5197950 0.92 TACR1 (0.64) TACR1
Hydrochloric Acid SCHEMBL5198436 0.92 TACR1 (0.64) TACR1
Hydrochloric Acid SCHEMBL5198437 0.92 TACR1 (0.64) TACR1
Hydrochloric Acid SCHEMBL5197526 0.92 TACR1 (0.64) TACR1
Hydrochloric Acid SCHEMBL5200507 0.92 TACR1 (0.64) TACR1
Hydrochloric Acid SCHEMBL5198445 0.92 TACR1 (0.64) 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