SCHEMBL1727692

SCHEMBL1727692

CNC(CN(CC=O)C(=O)O)C1(F)CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 3/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 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
MAPK1 P28482 1/20 0.40
RAB9A P51151 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
SCHEMBL1727952 0.81 NOTUM (0.47) LMNAHTTMAPTHPGDPOLB
SCHEMBL1729368 0.76 NOTUM (0.49) LMNAHTTMAPTHPGDPOLB
SCHEMBL1729344 0.74 KDM4E (0.44) LMNAHTTHPGDALDH1A1SMN1; SMN2
SCHEMBL1727690 0.72 POLB (0.44) LMNAHTTMAPTHPGDPOLB
SCHEMBL1733940 0.68 SIGMAR1 (0.60) LMNAMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL1727951 0.66 NOTUM (0.49) LMNAHTTMAPTPOLBALDH1A1
SCHEMBL1727891 0.65 ALDH1A1 (0.43) HTTMAPTALDH1A1KMT2AKDM4E
SCHEMBL5232337 0.65 LMNA (0.45) LMNAHTTMAPTHPGDPOLB
SCHEMBL6256297 0.64 LMNA (0.71) LMNAHTTMAPTPOLBALDH1A1
SCHEMBL1728028 0.64 NOTUM (0.47) LMNAHTTMAPTHPGDPOLB

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