SCHEMBL8969265

SCHEMBL8969265

CC(=O)NC1(c2ccccc2)CCN(CCOC(CN(C)C(=O)OCc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 4/20 0.60
TACR1 P25103 2/20 0.60
TACR3 P29371 16/20 0.52

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
SCHEMBL8971053 0.89 TACR2 (0.60) TACR2TACR1TACR3
SCHEMBL8973619 0.89 TACR2 (0.60) TACR2TACR1TACR3
SCHEMBL8970454 0.89 TACR2 (0.75) TACR2TACR1TACR3
SCHEMBL8971211 0.89 TACR2 (0.58) TACR2TACR1
SCHEMBL9119789 0.86 TACR2 (0.60) TACR2TACR1TACR3
SCHEMBL8970541 0.85 TACR2 (0.45) TACR2TACR1
SCHEMBL9118825 0.82 TACR2 (0.57) TACR2TACR1TACR3
SCHEMBL8970508 0.78 TACR2 (0.57) TACR2TACR1
SCHEMBL7864418 0.78 TACR2 (0.65) TACR2TACR1TACR3
SCHEMBL8802306 0.77 TACR2 (0.66) TACR2TACR1TACR3

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
WO-1995026338-A1 NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1995-10-05 WO claimed
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