SCHEMBL7966899

SCHEMBL7966899

COc1cc(CN2CCC(CCN3CCC(OS(C)(=O)=O)(c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(Cc3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 19/20 0.46
TACR1 P25103 1/20 0.40
SSTR5 P35346 1/20 0.35

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
SCHEMBL7962561 0.95 HRH1 (0.49) HRH1TACR1SSTR5
SCHEMBL7963346 0.95 HRH1 (0.47) HRH1TACR1SSTR5
SCHEMBL7947315 0.91 HRH1 (0.46) HRH1TACR1SSTR5
SCHEMBL7966896 0.91 HRH1 (0.47) HRH1TACR1SSTR5
SCHEMBL1387215 0.90 HRH1 (0.49) HRH1TACR1
SCHEMBL8303800 0.87 SSTR5 (0.38) HRH1TACR1SSTR5
SCHEMBL7962558 0.85 HRH1 (0.50) HRH1TACR1SSTR5
SCHEMBL7963343 0.85 HRH1 (0.49) HRH1TACR1SSTR5
SCHEMBL1387145 0.84 HRH1 (0.53) HRH1TACR1SSTR5
SCHEMBL7954465 0.84 HRH1 (0.49) HRH1TACR1SSTR5

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 2 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