SCHEMBL1728028

SCHEMBL1728028

CNC(=O)CN(CC1CN(c2cccc(C(F)(F)F)c2)C1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
POLB P06746 5/20 0.43
CACNA1B Q00975 1/20 0.42
LMNA P02545 5/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ACACB O00763 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 3/20 0.40
KDM4C Q9H3R0 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHRM4 P08173 1/20 0.40

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
SCHEMBL1729831 0.87 NOTUM (0.47) NOTUMPOLBCACNA1BLMNAMAPT
SCHEMBL1729137 0.86 NOTUM (0.49) NOTUMPOLBLMNAMAPTKDM4E
SCHEMBL1729829 0.84 NOTUM (0.47) NOTUMPOLBCACNA1BLMNAALDH1A1
SCHEMBL1727951 0.83 NOTUM (0.49) NOTUMPOLBLMNAMAPTKDM4E
SCHEMBL1727690 0.77 POLB (0.44) NOTUMPOLBLMNAMAPTKDM4E
SCHEMBL3265530 0.75 POLB (0.46) NOTUMPOLBCACNA1BLMNAMAPT
SCHEMBL1727883 0.74 NOTUM (0.55) NOTUMPOLBLMNAMAPTKDM4E
Lithium Ion SCHEMBL31016628 0.70 NOTUM (0.53) NOTUMPOLBLMNAMAPTKDM4E
SCHEMBL1729365 0.69 NOTUM (0.52) NOTUMPOLBLMNAMAPTALDH1A1
SCHEMBL4483840 0.69 DRD2 (0.62) POLBLMNAMAPTKDM4EALDH1A1

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