SCHEMBL8563879

SCHEMBL8563879

CS(=O)(=O)OCCOC1(c2ccc(Cl)c(Cl)c2)CCC(=O)N(Cc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.49
TACR2 P21452 2/20 0.46
TACR3 P29371 2/20 0.46

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
SCHEMBL8563068 0.91 TACR1 (0.47) TACR1TACR2TACR3
SCHEMBL8561467 0.85 TACR1 (0.52) TACR1TACR2TACR3
SCHEMBL8296291 0.84 TACR1 (0.63) TACR1TACR2TACR3
SCHEMBL7847578 0.82 TACR1 (0.61) TACR1TACR2TACR3
SCHEMBL8970672 0.78 TACR1 (0.47) TACR1TACR2TACR3
SCHEMBL8296290 0.76 TACR1 (0.50) TACR1TACR2TACR3
SCHEMBL8558529 0.76 TACR1 (0.48) TACR1TACR2TACR3
SCHEMBL8969398 0.76 TACR3 (0.57) TACR1TACR2TACR3
SCHEMBL4630898 0.76 TACR1 (0.44) TACR1TACR2TACR3
SCHEMBL8566728 0.75 TACR2 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726313-A Substituted arylaliphatic compounds, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 1998-03-10 US disclosed
EP-0700386-A1 NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1996-03-13 EP disclosed
WO-1995026338-A1 NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1995-10-05 WO disclosed