SCHEMBL1727883

SCHEMBL1727883

O=C(O)NCC1CN(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
POLB P06746 3/20 0.50
LMNA P02545 5/20 0.49
HTT P42858 2/20 0.49
CHRM4 P08173 1/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 6/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ACACB O00763 1/20 0.46
TSHR P16473 2/20 0.45

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
SCHEMBL3268922 0.83 NOTUM (0.46) NOTUMPOLBLMNAHTTALDH1A1
SCHEMBL3265530 0.81 POLB (0.46) NOTUMPOLBLMNAKMT2AALDH1A1
SCHEMBL3266868 0.81 NOTUM (0.47) NOTUMPOLBLMNAHTTCHRM4
SCHEMBL1727477 0.79 CHRM4 (0.66) NOTUMPOLBLMNAHTTCHRM4
SCHEMBL1729831 0.79 NOTUM (0.47) NOTUMPOLBLMNAHTTCHRM4
Lithium Ion SCHEMBL31016628 0.78 NOTUM (0.53) NOTUMPOLBLMNAHTTKMT2A
SCHEMBL25080907 0.76 NOTUM (0.54) NOTUMPOLBCHRM4DRD2ALDH1A1
SCHEMBL1410310 0.75 NOTUM (0.66) NOTUMPOLBLMNAHTTCHRM4
SCHEMBL1729137 0.74 NOTUM (0.49) NOTUMPOLBLMNAHTTKMT2A
SCHEMBL1728028 0.74 NOTUM (0.47) NOTUMPOLBLMNAHTTCHRM4

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