SCHEMBL1727769

SCHEMBL1727769

NC(=O)CN(CC1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.43
HTR3A P46098 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SCD O00767 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDK1 Q15118 1/20 0.40
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL1727652 0.90 SCD (0.42) CHRNA7HTR3ACHRNB4CHRNA3NPC1
SCHEMBL1727912 0.85 CNR1 (0.42)
SCHEMBL1729166 0.84 LMNA (0.39) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL1728046 0.83 NPC1 (0.49) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL1730046 0.79 DKK1 (0.49) KDM4EALDH1A1TSHR
SCHEMBL1729255 0.78 HTR1A (0.43) NPC1RAB9ASMN1; SMN2
SCHEMBL1728900 0.76 PRKCQ (0.38) HTR3AMEN1KMT2ATSHRNFKB1
SCHEMBL1727687 0.76 PDE10A (0.43) KMT2AKDM4ESMN1; SMN2
SCHEMBL1730318 0.76 HRH3 (0.43) KMT2AKDM4ESMN1; SMN2
SCHEMBL1728906 0.76 DEGS1 (0.48) KDM4EMAPTSMN1; SMN2

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