SCHEMBL7956874

SCHEMBL7956874

O=[N+]([O-])c1ccc(OC2CCN(c3ccncc3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.49
POLB P06746 2/20 0.46
MAPT P10636 5/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
F10 P00742 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL9760792 0.92 POLB (0.51) ACACBPOLBMAPTCYP2C9CYP2C19
SCHEMBL31225012 0.85 MAPT (0.59) ACACBPOLBMAPTCYP2C9CYP2C19
SCHEMBL7958424 0.83 MAPT (0.44) ACACBPOLBMAPTCYP2C9CYP2C19
SCHEMBL5634035 0.83 MAPT (0.44) ACACBPOLBMAPTCYP2C9CYP2C19
SCHEMBL7958334 0.83 MAPT (0.44) ACACBPOLBMAPTCYP2C9CYP2C19
SCHEMBL7956152 0.81 ACACB (0.52) ACACB
SCHEMBL7956662 0.80 ACACB (0.55) ACACBHRH3
SCHEMBL7956861 0.80 ACACB (0.51) ACACB
SCHEMBL7955313 0.78 ACACB (0.49) ACACB
SCHEMBL7958655 0.78 LIPG (0.50) ACACB

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-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed