SCHEMBL1728049

SCHEMBL1728049

COc1ccc(-c2cccc(N3CCN(CCNC(=O)O)CC3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.51
CNR1 P21554 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
HTR1A P08908 3/20 0.49
HTR2A P28223 3/20 0.49
DRD3 P35462 3/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
KDM5B Q9UGL1 1/20 0.47
LMNA P02545 1/20 0.47
HTR2C P28335 1/20 0.46
DRD2 P14416 1/20 0.46
FAAH O00519 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL1727960 0.90 DRD4 (0.56) DRD4CNR1ALDH1A1HTR1AHTR2A
SCHEMBL1727631 0.87 HTR1A (0.48) DRD4HTR1AHTR2ADRD3HTR2C
SCHEMBL1727728 0.86 CNR1 (0.47) DRD4CNR1POLBHTR1AHTR2A
SCHEMBL14796938 0.84 CHRM4 (0.49) CNR1LMNAACHE
SCHEMBL1728645 0.83 CNR1 (0.50) DRD4CNR1HTR1AHTR2ADRD3
SCHEMBL1729537 0.81 DRD4 (0.55) DRD4POLBLMNAFAAHACHE
SCHEMBL1727657 0.80 CNR1 (0.54) CNR1ALDH1A1POLBHTR1AHTR2A
SCHEMBL1727394 0.79 HTR1A (0.46) DRD4CNR1HTR1AHTR2ADRD3
SCHEMBL1730370 0.79 CNR1 (0.44) DRD4CNR1ALDH1A1HSD17B10KDM4E
SCHEMBL1729806 0.79 CNR1 (0.44) DRD4CNR1ALDH1A1HSD17B10HTR1A

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