SCHEMBL7545165

SCHEMBL7545165

CC(C)(C)OC(=O)N(CCO)CC(O)(CCO[Si](C)(C)C(C)(C)C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.35
P2RX3 P56373 1/20 0.30

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
SCHEMBL7500100 0.94 SSTR4 (0.34) SSTR4
SCHEMBL27478681 0.94 SSTR4 (0.34) SSTR4
SCHEMBL8179292 0.87 SSTR4 (0.33) SSTR4
SCHEMBL4158496 0.85 SSTR4 (0.38) SSTR4
SCHEMBL1965746 0.72 SSTR4 (0.41) SSTR4
SCHEMBL7498467 0.72 DUT (0.33) SSTR4
SCHEMBL27478289 0.72 DUT (0.33) SSTR4
SCHEMBL1280544 0.71 L3MBTL1 (0.33) SSTR4
SCHEMBL17602961 0.70 SSTR4 (0.38) SSTR4
SCHEMBL6994755 0.69 S1PR3 (0.31)

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