SCHEMBL1727732

SCHEMBL1727732

N#Cc1ccc(-c2ccc(N3CCN(CCNC(=O)O)CC3)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.50
RET P07949 3/20 0.46
EGLN1 Q9GZT9 2/20 0.46
CHRM4 P08173 2/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
EGLN2 Q96KS0 1/20 0.44
DRD4 P21917 2/20 0.43
EP300 Q09472 1/20 0.43
DRD3 P35462 2/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
CXCR3 P49682 1/20 0.43

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
SCHEMBL1727411 0.89 DRD4 (0.47) RETEGLN1CHRM4DRD4DRD3
SCHEMBL1729132 0.85 DRD4 (0.52) EGLN1DRD4DRD3HTR1AHTR2A
SCHEMBL12228947 0.84 RET (0.46) CD274RETEGLN1CHRM4MKNK1
SCHEMBL1711102 0.83 CHRM4 (0.59) EGLN1CHRM4
SCHEMBL1729537 0.83 DRD4 (0.55) CD274EGLN1DRD4
SCHEMBL1728645 0.81 CNR1 (0.50) CD274EGLN2DRD4DRD3HRH3
SCHEMBL1727526 0.80 HRH2 (0.47) RETCHRM4DRD4DRD3HRH2
SCHEMBL1729393 0.79 CNR2 (0.56) EGLN1DRD4DRD3HTR1AHTR2A
SCHEMBL1729278 0.78 HTR1A (0.41) RETEGLN1DRD4DRD3HRH1
SCHEMBL1729085 0.78 RET (0.41) RETEGLN1DRD4EP300DRD3

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
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed