SCHEMBL1729137

SCHEMBL1729137

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
POLB P06746 3/20 0.42
LMNA P02545 5/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACACB O00763 1/20 0.40
KDM4E B2RXH2 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
MAPK1 P28482 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
SCHEMBL1728028 0.86 NOTUM (0.47) NOTUMPOLBLMNAKMT2AHTT
SCHEMBL1729829 0.84 NOTUM (0.47) NOTUMPOLBLMNAKMT2AHTT
SCHEMBL1729831 0.83 NOTUM (0.47) NOTUMPOLBLMNAHTTALDH1A1
SCHEMBL1729365 0.82 NOTUM (0.52) NOTUMPOLBLMNAKMT2AHTT
SCHEMBL1727883 0.74 NOTUM (0.55) NOTUMPOLBLMNAKMT2AHTT
Lithium Ion SCHEMBL31016628 0.72 NOTUM (0.53) NOTUMPOLBLMNAKMT2AHTT
SCHEMBL3268922 0.72 NOTUM (0.46) NOTUMPOLBLMNAHTTALDH1A1
SCHEMBL1410310 0.70 NOTUM (0.66) NOTUMPOLBLMNAKMT2AHTT
SCHEMBL1727951 0.69 NOTUM (0.49) NOTUMPOLBLMNAKMT2AHTT
SCHEMBL1729795 0.69 LMNA (0.60) LMNAKMT2AHTTALDH1A1L3MBTL1

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