SCHEMBL8969406

SCHEMBL8969406

CC(=O)NC1(c2ccccc2)CCN(CCOC2(c3ccc(Cl)c(Cl)c3)CCC(O)N(Cc3ccccc3)C2)CC1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 17/20 0.51
TACR2 P21452 3/20 0.51
TACR1 P25103 3/20 0.51

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
SCHEMBL8969398 0.84 TACR3 (0.57) TACR3TACR2TACR1
SCHEMBL8969610 0.81 TACR3 (0.57) TACR3TACR2TACR1
SCHEMBL8972912 0.79 TACR3 (0.52) TACR3TACR2TACR1
SCHEMBL8973884 0.77 TACR2 (0.57) TACR3TACR2TACR1
SCHEMBL4630229 0.72 TACR3 (0.52) TACR3TACR2TACR1
SCHEMBL4630836 0.72 TACR3 (0.58) TACR3TACR2TACR1
SCHEMBL4630026 0.71 TACR3 (0.51) TACR3TACR2TACR1
Hydrochloric Acid SCHEMBL7750409 0.71 TACR3 (0.51) TACR3TACR2TACR1
Hydrochloric Acid SCHEMBL7744611 0.71 TACR3 (0.57) TACR3TACR2TACR1
SCHEMBL3745716 0.71 TACR3 (0.65) TACR3TACR2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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