SCHEMBL1729779

SCHEMBL1729779

CNC(CN(CC=O)C(=O)O)C1CCN(c2cc3cc(Cl)ccc3cn2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.34
DGAT1 O75907 2/20 0.34
KCNH2 Q12809 2/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
ADORA2A P29274 1/20 0.33
DEGS1 O15121 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CKS1B P61024 4/20 0.32
SKP1 P63208 4/20 0.32
SKP2 Q13309 4/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
F10 P00742 3/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL1729264 0.89 HTR3A (0.41) DGAT1KCNH2CKS1BSKP1SKP2
SCHEMBL1730142 0.88 ABL1 (0.37) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL1729308 0.87 HRH3 (0.44) DGAT1KCNH2PDE2APDE10AF10
SCHEMBL1729370 0.87 HRH3 (0.43) SMODGAT1KCNH2ADORA2AKDM4E
SCHEMBL1728140 0.84 ABL1 (0.35) DEGS1TRPV1
SCHEMBL1727558 0.84 KCNH2 (0.40) DGAT1KCNH2ADORA2ADEGS1KDM4E
SCHEMBL1729453 0.82 PDE10A (0.36) KDM4EMAPTPDE10AF10F2
SCHEMBL1730195 0.79 HCAR2 (0.46) MAPTCKS1BSKP1SKP2
SCHEMBL1729592 0.78 PTGES (0.42) SMOPDE2APDE10APDE4APDE4B
SCHEMBL1727921 0.78 KDM4E (0.43) DRD2KDM4EMAPT

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