SCHEMBL6994755

SCHEMBL6994755

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

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.31
DGAT1 O75907 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
SCHEMBL7502127 0.95 S1PR3 (0.30) S1PR3
SCHEMBL6996088 0.75 SLC6A2 (0.41)
SCHEMBL7497059 0.73 SPPL2A (0.35)
SCHEMBL7501378 0.71 ALDH1A1 (0.50)
SCHEMBL6994759 0.70 SSTR4 (0.35) S1PR3
SCHEMBL1690588 0.69 F2R (0.41)
SCHEMBL1690586 0.69 F2R (0.41)
SCHEMBL7545165 0.69 SSTR4 (0.35)
SCHEMBL12497714 0.69 PNMT (0.34)
SCHEMBL27479102 0.68 CYP3A4 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0987269-B1 SALTS OF OPTICALLY ACTIVE SULFOXIDE DERIVATIVE SANKYO CO (JP) 2003-08-13 EP disclosed
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
US-6362179-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS SANKYO COMPANY, LIMITED (JP) 2002-03-26 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-0987269-A1 SALTS OF OPTICALLY ACTIVE SULFOXIDE DERIVATIVE Sankyo Company Limited (JP) 2000-03-22 EP disclosed
EP-0776893-A1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO COMPANY LIMITED (JP) 1997-06-04 EP disclosed