SCHEMBL7961307

SCHEMBL7961307

c1ccc(COc2ccccc2OC2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.52
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
ABCB1 P08183 1/20 0.45
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
F2 P00734 1/20 0.43
ELANE P08246 1/20 0.43
HRH1 P35367 1/20 0.42
HRH3 Q9Y5N1 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
SCHEMBL7961303 0.85 F10 (0.54) F10F2ELANEHRH1HRH3
SCHEMBL8633873 0.83 ITGB3 (0.53) F10HRH1HRH3
SCHEMBL7956714 0.78 ACACB (0.60) F10F2HRH1HRH3
SCHEMBL7947657 0.78 HTR2C (0.47) HTR2CHTR2BHTR1AADRA2AADRA2B
SCHEMBL20595486 0.75 HTR2C (0.42) F10HTR2CHTR2BHRH3
SCHEMBL31108082 0.75 HTR2C (0.42) F10HTR2CHTR2BHRH3
SCHEMBL7956699 0.74 ACACB (0.48) F10
SCHEMBL7955317 0.72 HRH1 (0.47) HRH1HRH3
SCHEMBL8620385 0.72 GRIN2B (0.50) F10HTR2CHTR2BHTR1AADRA2A
SCHEMBL2636637 0.72 SMN1; SMN2 (0.46) HTR2CHTR2BHRH1

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