SCHEMBL7956798

SCHEMBL7956798

CC(C)Oc1cccc(CC(=O)N2CCC(CCN3CCC(C(=O)c4nc5ccccc5n4CCOCc4ccco4)CC3)(c3ccc4c(c3)OCO4)C2)c1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 19/20 0.76
TACR1 P25103 2/20 0.45
TACR2 P21452 1/20 0.45

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
SCHEMBL7955895 0.93 HRH1 (0.84) HRH1TACR1TACR2
SCHEMBL7958228 0.92 HRH1 (0.64) HRH1TACR1TACR2
SCHEMBL7954526 0.92 HRH1 (0.82) HRH1TACR1TACR2
SCHEMBL7958153 0.91 HRH1 (0.66) HRH1TACR1
SCHEMBL1387157 0.87 HRH1 (1.00) HRH1TACR1
SCHEMBL7956594 0.86 HRH1 (0.84) HRH1TACR1
SCHEMBL7956800 0.86 HRH1 (0.57) HRH1TACR1TACR2
SCHEMBL7954814 0.85 HRH1 (0.70) HRH1TACR1TACR2
SCHEMBL7956449 0.84 HRH1 (0.95) HRH1TACR1
SCHEMBL7958316 0.84 HRH1 (0.69) HRH1TACR1

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 3 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