SCHEMBL7956210

SCHEMBL7956210

COc1ccc(C2(CCS(C)(=O)=O)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TACR2 P21452 3/20 0.51
TACR1 P25103 3/20 0.51
HRH1 P35367 2/20 0.51
TACR3 P29371 1/20 0.51

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
SCHEMBL7958328 0.92 TACR2 (0.53) TACR2TACR1HRH1TACR3
SCHEMBL7947406 0.91 PKM (0.52) TACR2TACR1HRH1TACR3
SCHEMBL7947283 0.91 TACR2 (0.57) ALDH1A1TACR2TACR1HRH1TACR3
SCHEMBL7958307 0.90 TACR2 (0.55) TACR2TACR1HRH1TACR3
SCHEMBL6997708 0.90 ALDH1A1 (0.53) ALDH1A1L3MBTL1TACR2TACR1HRH1
SCHEMBL7958490 0.89 HRH1 (0.52) TACR2TACR1HRH1TACR3
SCHEMBL7947243 0.89 TACR2 (0.45) TACR2TACR1HRH1TACR3
SCHEMBL7947581 0.89 TACR2 (0.51) TACR2TACR1HRH1TACR3
SCHEMBL7954948 0.89 TACR2 (0.64) TACR2TACR1HRH1TACR3
SCHEMBL8641331 0.89 ALDH1A1 (0.52) ALDH1A1L3MBTL1TACR2TACR1HRH1

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