SCHEMBL1727951

SCHEMBL1727951

CNC(=O)CN(CCC1CCN(c2cccc(C(F)(F)F)c2)CC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
CHRM4 P08173 2/20 0.48
POLB P06746 4/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
SERPINE1 P05121 2/20 0.43
KMT2A Q03164 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL1729365 0.87 NOTUM (0.52) NOTUMCHRM4POLBLMNAALDH1A1
SCHEMBL1728028 0.83 NOTUM (0.47) NOTUMCHRM4POLBLMNAKDM4E
SCHEMBL1727690 0.83 POLB (0.44) NOTUMPOLBLMNAKDM4EALDH1A1
SCHEMBL1730124 0.77 CHRM4 (0.46) CHRM4
SCHEMBL1727727 0.77 MAP4K4 (0.40)
SCHEMBL3265586 0.77 CHRM4 (0.54) NOTUMCHRM4POLBLMNAKDM4E
SCHEMBL1728683 0.76 DRD3 (0.40)
SCHEMBL1727477 0.76 CHRM4 (0.66) NOTUMCHRM4POLBLMNAKDM4E
SCHEMBL1728139 0.75 CHRM4 (0.39) NOTUMCHRM4
SCHEMBL1727922 0.75 DRD2 (0.46) CHRM4POLBKDM4EALDH1A1NPSR1

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