SCHEMBL7956445

SCHEMBL7956445

N#Cc1ccc(NC(=O)NCc2ccccc2N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 15/20 0.52
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTT P42858 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
PANK3 Q9H999 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
SCHEMBL7956448 0.88 HTT (0.46) NAMPTHTR1ADRD2HTTROCK2
SCHEMBL7947618 0.87 KMT2A (0.49) NAMPTHTR1ADRD2HTTROCK2
SCHEMBL7956239 0.78 CYP19A1 (0.46) NAMPT
SCHEMBL7947622 0.77 MAPT (0.50) NAMPTHTR1ADRD2HTTROCK2
SCHEMBL7947475 0.75 KMT2A (0.52) HTR1ADRD2
SCHEMBL7967171 0.72 KMT2A (0.54) HTR1ADRD2
SCHEMBL7956560 0.69 KDM4E (0.65) PANK3
SCHEMBL18695146 0.69 NAMPT (0.64) NAMPTHTTROCK2ROCK1
SCHEMBL28456273 0.69 NAMPT (0.53) NAMPT
SCHEMBL20379200 0.69 NAMPT (1.00) NAMPT

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