SCHEMBL6603926

SCHEMBL6603926

CC(C)(C)[Si](C)(C)OCC[C@H](CNC(=O)c1c(OS(C)(=O)=O)c(C#N)cc2ccccc12)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.39
TACR1 P25103 3/20 0.39
TACR3 P29371 3/20 0.39
PTGFR P43088 17/20 0.32
ADRA2A P08913 1/20 0.31
HTR3A P46098 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
TBXA2R P21731 1/20 0.31

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
SCHEMBL14485492 0.92 TACR2 (0.36) TACR2TACR1TACR3PTGFR
SCHEMBL4025552 0.91 TACR2 (0.45) TACR2TACR1TACR3PTGFR
SCHEMBL4025558 0.91 TACR2 (0.45) TACR2TACR1TACR3PTGFR
SCHEMBL14484775 0.91 TACR2 (0.36) TACR2TACR1TACR3PTGFR
SCHEMBL14484958 0.90 TACR2 (0.36) TACR2TACR1TACR3
SCHEMBL14484758 0.89 TACR2 (0.39) TACR2TACR1TACR3PTGFR
SCHEMBL14485288 0.89 TACR2 (0.38) TACR2TACR1TACR3PTGFR
SCHEMBL6605525 0.88 TACR2 (0.37) TACR2TACR1TACR3PTGFRTBXA2R
SCHEMBL14144503 0.88 TACR2 (0.41) TACR2TACR1TACR3PTGFRTBXA2R
SCHEMBL6609096 0.87 TACR2 (0.42) TACR2TACR1TACR3PTGFRADRA2A

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
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed