SCHEMBL7947193

SCHEMBL7947193

CC(C)Oc1cccc(CC(=O)N2CCC(CCS(C)(=O)=O)(c3ccc4c(c3)OCO4)C2)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.56
TACR2 P21452 1/20 0.52
TACR1 P25103 1/20 0.52
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
HTR1D P28221 1/20 0.37

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
SCHEMBL7958311 0.90 HRH1 (0.58) HRH1TACR2TACR1EDNRBEDNRA
SCHEMBL8308100 0.82 TACR1 (0.61) TACR2TACR1
SCHEMBL27385927 0.79 HRH1 (0.39) HRH1EDNRBEDNRAHTR1D
SCHEMBL8885371 0.78 TACR2 (0.53) HRH1TACR2TACR1
SCHEMBL8592345 0.77 TACR2 (0.65) HRH1TACR2TACR1
SCHEMBL8883479 0.77 TACR2 (0.65) HRH1TACR2TACR1
SCHEMBL8884449 0.77 TACR2 (0.55) HRH1TACR2TACR1
SCHEMBL8882191 0.77 TACR2 (0.54) HRH1TACR2TACR1
SCHEMBL8882429 0.77 TACR2 (0.65) HRH1TACR2TACR1
SCHEMBL8885397 0.77 TACR2 (0.53) HRH1TACR2TACR1

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