SCHEMBL7958683

SCHEMBL7958683

COc1ccc(CC2(CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccco4)CC3)CCCN(Cc3ccccc3)C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.56
TACR1 P25103 2/20 0.54
TACR2 P21452 1/20 0.54

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
SCHEMBL7947291 0.94 HRH1 (0.55) HRH1TACR1TACR2
SCHEMBL7956349 0.93 HRH1 (0.57) HRH1TACR1TACR2
SCHEMBL7955901 0.92 HRH1 (0.52) HRH1TACR1TACR2
SCHEMBL7956255 0.91 HRH1 (0.55) HRH1TACR1TACR2
SCHEMBL7961546 0.90 HRH1 (0.61) HRH1TACR1TACR2
SCHEMBL7961294 0.88 HRH1 (0.58) HRH1TACR1TACR2
SCHEMBL7947529 0.88 HRH1 (0.64) HRH1TACR1
SCHEMBL7947317 0.87 HRH1 (0.60) HRH1TACR1TACR2
SCHEMBL7954871 0.87 HRH1 (0.57) HRH1TACR1TACR2
SCHEMBL7956124 0.85 HRH1 (0.54) HRH1TACR1TACR2

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