SCHEMBL7947345

SCHEMBL7947345

COc1cc(C(=O)N2CCC(CCS(C)(=O)=O)(c3cccc(Cl)c3)C2)cc(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.55
TACR1 P25103 3/20 0.55
TACR3 P29371 1/20 0.55
HRH1 P35367 1/20 0.55

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
SCHEMBL7947283 0.91 TACR2 (0.57) TACR2TACR1TACR3HRH1
SCHEMBL7491085 0.90 TACR2 (0.54) TACR2TACR1TACR3HRH1
SCHEMBL8634969 0.90 TACR2 (0.54) TACR2TACR1TACR3HRH1
SCHEMBL7958328 0.90 TACR2 (0.53) TACR2TACR1TACR3HRH1
SCHEMBL7487973 0.89 TACR2 (0.57) TACR2TACR1TACR3HRH1
SCHEMBL7954948 0.88 TACR2 (0.64) TACR2TACR1TACR3HRH1
SCHEMBL7958307 0.88 TACR2 (0.55) TACR2TACR1TACR3HRH1
SCHEMBL7958376 0.88 TACR2 (0.50) TACR2TACR1TACR3HRH1
SCHEMBL7958458 0.87 TACR2 (0.51) TACR2TACR1TACR3HRH1
SCHEMBL7947581 0.86 TACR2 (0.51) TACR2TACR1TACR3HRH1

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