SCHEMBL1727952

SCHEMBL1727952

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
POLB P06746 3/20 0.43
LMNA P02545 7/20 0.43
MAPK1 P28482 2/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 3/20 0.42
ACACB O00763 1/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CACNA1B Q00975 1/20 0.41
USP2 O75604 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
SCHEMBL1729368 0.86 NOTUM (0.49) NOTUMPOLBLMNAMAPK1RAB9A
SCHEMBL1727692 0.81 LMNA (0.42) NOTUMPOLBLMNAMAPK1RAB9A
SCHEMBL1730128 0.76 HTR3A (0.43) POLBLMNARAB9ATRPV1SMN1; SMN2
SCHEMBL1728682 0.76 ACACB (0.40) ACACB
SCHEMBL1728140 0.75 ABL1 (0.35) TRPV1
SCHEMBL1727875 0.75 ACACB (0.40) ACACB
SCHEMBL1729264 0.74 HTR3A (0.41)
SCHEMBL1727768 0.73 HRH3 (0.37) ACACB
SCHEMBL1730195 0.73 HCAR2 (0.46) RAB9AHTTMAPTHPGDSMN1; SMN2
SCHEMBL1728165 0.73 KDM4E (0.45) LMNARAB9AHPGDSMN1; SMN2ALDH1A1

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