SCHEMBL7499055

SCHEMBL7499055

COc1cc(C(=O)N2CCO[C@](CCCOS(C)(=O)=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.47
TACR1 P25103 3/20 0.47
TACR3 P29371 1/20 0.47
HRH1 P35367 1/20 0.47

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
SCHEMBL6962224 0.95 TACR2 (0.48) TACR2TACR1TACR3HRH1
SCHEMBL7494916 0.95 TACR2 (0.48) TACR2TACR1TACR3HRH1
SCHEMBL7496034 0.92 TACR2 (0.45) TACR2TACR1TACR3HRH1
SCHEMBL7497839 0.90 TACR2 (0.47) TACR2TACR1TACR3HRH1
SCHEMBL7499048 0.90 TACR2 (0.47) TACR2TACR1TACR3HRH1
SCHEMBL7497834 0.90 TACR2 (0.47) TACR2TACR1TACR3HRH1
SCHEMBL7498650 0.89 TACR2 (0.50) TACR2TACR1TACR3HRH1
SCHEMBL7494913 0.88 TACR2 (0.48) TACR2TACR1TACR3HRH1
SCHEMBL6962218 0.88 TACR2 (0.48) TACR2TACR1TACR3HRH1
SCHEMBL4630839 0.87 TACR2 (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448247-B1 TACHYKININ RECEPTOR ANTAGONIST; ESPECIALLY TO THE RECEPTORS FOR SUBSTANCE P (WHICH RECEPTORS ARE GENERALLY REFERRED TO AS ?NEUROKININ 1 RECEPTORS?) SANKYO COMPANY, LIMITED (JP) 2002-09-10 US disclosed
EP-0776893-B1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO CO (JP) 2002-02-27 EP disclosed
US-6159967-A Heterocyclic compounds having tachykinin receptor antagonist activity their preparation and their use SANKYO COMPANY, LIMITED (JP) 2000-12-12 US disclosed
EP-0776893-A1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO COMPANY LIMITED (JP) 1997-06-04 EP disclosed