SCHEMBL7954948

SCHEMBL7954948

COc1cc(C(=O)N2CCC(CCS(C)(=O)=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 4/20 0.64
TACR1 P25103 4/20 0.64
TACR3 P29371 1/20 0.64
HRH1 P35367 1/20 0.64

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
SCHEMBL7962412 0.95 TACR2 (0.58) TACR2TACR1TACR3HRH1
SCHEMBL7958307 0.91 TACR2 (0.55) TACR2TACR1TACR3HRH1
SCHEMBL7958328 0.91 TACR2 (0.53) TACR2TACR1TACR3HRH1
SCHEMBL7000239 0.90 TACR2 (0.63) TACR2TACR1TACR3HRH1
SCHEMBL6999617 0.90 TACR2 (0.63) TACR2TACR1TACR3HRH1
SCHEMBL6995921 0.90 TACR2 (0.63) TACR2TACR1TACR3HRH1
SCHEMBL8347210 0.89 TACR2 (0.62) TACR2TACR1TACR3HRH1
SCHEMBL7947581 0.89 TACR2 (0.51) TACR2TACR1TACR3HRH1
SCHEMBL7956210 0.89 ALDH1A1 (0.54) TACR2TACR1TACR3HRH1
SCHEMBL6992827 0.89 TACR2 (0.68) 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 6 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-0792273-A1 BICYCLIC OXAZINE AND THIAZINE OXAZOLIDINONE ANTIBACTERIALS PHARMACIA & UPJOHN COMPANY (US) 1997-09-03 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-1996015130-A1 BICYCLIC OXAZINE AND THIAZINE OXAZOLIDINONE ANTIBACTERIALS PHARMACIA + UPJOHN COMPANY (US) 1996-05-23 WO disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed