SCHEMBL1729368

SCHEMBL1729368

NC(CN(CC=O)C(=O)O)C1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
POLB P06746 3/20 0.45
LMNA P02545 4/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.43
HTT P42858 2/20 0.42
SLC2A1 P11166 1/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL1727952 0.86 NOTUM (0.47) NOTUMPOLBLMNAMAPK1RAB9A
SCHEMBL1728013 0.83 FFAR4 (0.50) MAPTALDH1A1ADRB1
SCHEMBL1729687 0.80 LMNA (0.53) LMNAKMT2AHTTMAPTHPGD
SCHEMBL1727692 0.76 LMNA (0.42) NOTUMPOLBLMNAMAPK1RAB9A
SCHEMBL1729271 0.75 AKR1C3 (0.43)
SCHEMBL1727545 0.74 GRIN2D (0.36) KMT2ATSHR
SCHEMBL1727576 0.74 ABL1 (0.35)
SCHEMBL1729365 0.73 NOTUM (0.52) NOTUMPOLBLMNAMAPK1RAB9A
SCHEMBL1730251 0.72 DPP4 (0.42)
SCHEMBL1729774 0.71 LMNA (0.36) LMNARAB9AKMT2AHTTMAPT

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