SCHEMBL7954911

SCHEMBL7954911

COc1cc(CN2CCC(C(=O)[C@H]3NCCC3O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 4/20 0.44
TACR1 P25103 4/20 0.44
TACR3 P29371 1/20 0.42
HRH1 P35367 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7954908 1.00 TACR2 (0.44) TACR2TACR1TACR3HRH1MEN1
SCHEMBL7954914 1.00 TACR2 (0.44) TACR2TACR1TACR3HRH1MEN1
SCHEMBL8355488 0.72 TACR2 (0.54) TACR2TACR1TACR3HRH1
SCHEMBL8636065 0.71 TACR2 (0.49) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL8642997 0.71 TACR2 (0.53) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL8642995 0.71 TACR2 (0.43) TACR2TACR1TACR3HRH1MEN1
SCHEMBL8302104 0.71 TACR2 (0.53) TACR2TACR1TACR3HRH1
SCHEMBL8353782 0.70 TACR2 (0.58) TACR2TACR1TACR3HRH1
SCHEMBL8356000 0.70 TACR2 (0.52) TACR2TACR1TACR3HRH1
SCHEMBL9045923 0.70 TACR2 (0.66) TACR2TACR1TACR3HRH1

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
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed