SCHEMBL7958490

SCHEMBL7958490

COc1cc(C(=O)N2CCC(CCS(C)(=O)=O)(c3ccc(C(F)(F)F)cc3)C2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.52
TACR2 P21452 3/20 0.48
TACR1 P25103 3/20 0.48
TACR3 P29371 1/20 0.48

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
SCHEMBL7958376 0.91 TACR2 (0.50) HRH1TACR2TACR1TACR3
SCHEMBL7947406 0.90 PKM (0.52) HRH1TACR2TACR1TACR3
SCHEMBL8640838 0.90 HRH1 (0.53) HRH1TACR2TACR1TACR3
SCHEMBL7958328 0.89 TACR2 (0.53) HRH1TACR2TACR1TACR3
SCHEMBL7956210 0.89 ALDH1A1 (0.54) HRH1TACR2TACR1TACR3
SCHEMBL7958645 0.89 HRH1 (0.55) HRH1TACR2TACR1TACR3
SCHEMBL7947283 0.88 TACR2 (0.57) HRH1TACR2TACR1TACR3
SCHEMBL7958307 0.87 TACR2 (0.55) HRH1TACR2TACR1TACR3
SCHEMBL7958458 0.86 TACR2 (0.51) HRH1TACR2TACR1TACR3
SCHEMBL7954948 0.85 TACR2 (0.64) HRH1TACR2TACR1TACR3

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-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed
EP-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 EP disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed