SCHEMBL8970928

SCHEMBL8970928

CC(=O)NC1(c2ccccc2)CCN(CCOCC(c2ccc(Cl)c(Cl)c2)N(C)C(=O)c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 5/20 0.68
TACR1 P25103 3/20 0.68
TACR3 P29371 12/20 0.48

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
SCHEMBL9287904 0.90 TACR2 (0.72) TACR2TACR1TACR3
SCHEMBL8970454 0.84 TACR2 (0.75) TACR2TACR1TACR3
SCHEMBL8970494 0.83 TACR2 (0.77) TACR2TACR1TACR3
Saredutant SCHEMBL185911 0.81 TACR2 (1.00) TACR2TACR1
Saredutant SCHEMBL676170 0.81 TACR2 (1.00) TACR2TACR1
Saredutant SCHEMBL29371280 0.81 TACR2 (1.00) TACR2TACR1
Saredutant SCHEMBL9317902 0.80 TACR2 (0.98) TACR2TACR1
SCHEMBL3507919 0.79 TACR2 (0.61) TACR2TACR1TACR3
SCHEMBL8974729 0.79 TACR2 (0.61) TACR2TACR1TACR3
Saredutant SCHEMBL8592243 0.78 TACR2 (0.94) TACR2TACR1

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-0700386-A1 NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1996-03-13 EP disclosed