SCHEMBL8303632

SCHEMBL8303632

COc1ccc(C2(CCS(C)(=O)=O)CCN(C(=O)Cc3cc(OC)c(OC)c(OC)c3)C2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.56
TACR2 P21452 5/20 0.56
HTT P42858 1/20 0.43
HRH1 P35367 4/20 0.43
TACR3 P29371 1/20 0.42

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
SCHEMBL8305246 0.89 TACR2 (0.59) TACR1TACR2HTTHRH1TACR3
SCHEMBL7958307 0.87 TACR2 (0.55) TACR1TACR2HRH1TACR3
SCHEMBL7961464 0.80 HRH1 (0.50) TACR1TACR2HRH1TACR3
SCHEMBL7954948 0.78 TACR2 (0.64) TACR1TACR2HRH1TACR3
SCHEMBL7947581 0.78 TACR2 (0.51) TACR1TACR2HRH1TACR3
SCHEMBL7955900 0.78 HRH1 (0.52) TACR1TACR2HRH1TACR3
SCHEMBL7956210 0.77 ALDH1A1 (0.54) TACR1TACR2HRH1TACR3
SCHEMBL7958328 0.77 TACR2 (0.53) TACR1TACR2HRH1TACR3
SCHEMBL8885360 0.77 TACR1 (0.45) TACR1TACR2
SCHEMBL7958458 0.77 TACR2 (0.51) TACR1TACR2HRH1TACR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed