SCHEMBL8296291

SCHEMBL8296291

CS(=O)(=O)OCCC1(c2ccc(Cl)c(Cl)c2)CCC(=O)N(Cc2ccccc2)C1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.63
TACR2 P21452 3/20 0.59
TACR3 P29371 3/20 0.59

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
SCHEMBL7847578 0.94 TACR1 (0.61) TACR1TACR2TACR3
SCHEMBL8479705 0.88 TACR1 (0.51) TACR1TACR2TACR3
SCHEMBL8366723 0.88 TACR1 (0.49) TACR1TACR2TACR3
SCHEMBL8292835 0.85 TACR1 (0.56) TACR1TACR2TACR3
SCHEMBL4631694 0.84 TACR1 (0.46) TACR1TACR2TACR3
SCHEMBL8563879 0.84 TACR1 (0.49) TACR1TACR2TACR3
SCHEMBL8485327 0.83 TACR1 (0.46) TACR1TACR2TACR3
SCHEMBL8483783 0.83 TACR1 (0.50) TACR1TACR2TACR3
SCHEMBL8203185 0.81 TACR1 (0.68) TACR1TACR2TACR3
SCHEMBL4630898 0.80 TACR1 (0.44) TACR1TACR2TACR3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512901-B1 Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1999-06-23 EP disclosed
US-5770735-A Polycyclic amine compounds and their enantiomers, their method of preparation and pharmaceutical compositions in which they are present ELF SANOFI (FR) 1998-06-23 US disclosed
US-5625060-A Polycyclic amine compounds and their enantiomers, their method of preparation and pharmaceutical compositions on which they are present Sanofi, Elf (FR) 1997-04-29 US disclosed
US-5340822-A Substance P, neurokinin antagonists ELF SANOFI (FR) 1994-08-23 US disclosed
EP-0512901-A1 Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-11-11 EP disclosed