SCHEMBL6996092

SCHEMBL6996092

CC(C)(C)[Si](C)(C)OC(C[C@@H](O)CO)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.34
SLC6A4 P31645 13/20 0.34
SLC6A3 Q01959 13/20 0.34
CYP2D6 P10635 11/20 0.34
CYP3A4 P08684 10/20 0.34
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 6/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7497062 0.89 KMT2A (0.36) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL27476982 0.89 KMT2A (0.36) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL27479100 0.83 CYP2D6 (0.30) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL7501379 0.81 LMNA (0.44) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL6994759 0.78 SSTR4 (0.35)
SCHEMBL15229070 0.77 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL7502131 0.77 ADRB3 (0.34)
SCHEMBL15229246 0.76 SLC6A4 (0.38) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL16554196 0.76 SLC6A4 (0.38) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL4166717 0.73 S1PR1 (0.40) SLC6A2SLC6A4SLC6A3CYP3A4ALDH1A1

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 8 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
CN-1157286-A N,N-dimethyl-1-t-butoxycarbonyl-4-phenylpiperidine-4-carboxamide SANKYO CO (JP) 1997-08-20 CN disclosed
EP-0776893-A1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO COMPANY LIMITED (JP) 1997-06-04 EP disclosed