SCHEMBL4636102

SCHEMBL4636102

CCCNc1ccnc2s[c]nc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
GRM1 Q13255 1/20 0.36
HTR1A P08908 6/20 0.36
ADRA1D P25100 6/20 0.36
ADRA1A P35348 6/20 0.36
ADRA1B P35368 6/20 0.36
LIMK1 P53667 2/20 0.35
PDE4B Q07343 2/20 0.34
UTS2R Q9UKP6 2/20 0.33
MAPK14 Q16539 1/20 0.32
NPC1 O15118 1/20 0.31
HCAR3 P49019 1/20 0.31
PDE5A O76074 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL30480241 0.67 UTS2R (0.40) KDM6BKDM4CHTR1AADRA1DADRA1A
SCHEMBL16655234 0.66 NR4A2 (0.32)
SCHEMBL23074722 0.66 HTR1A (0.44) KDM6BKDM4CHTR1AADRA1DADRA1A
SCHEMBL4636099 0.65 PIM1 (0.39) HCAR3PDE5AKDM4EALDH1A1SMN1; SMN2
SCHEMBL23339882 0.63 CYP1A2 (0.50) HTR1AADRA1DADRA1AADRA1BUTS2R
SCHEMBL18510377 0.63 CDK1 (0.51) NPC1KDM4E
SCHEMBL8937938 0.63 SLC29A1 (0.34) UTS2RPDE5AALDH1A1SMN1; SMN2
SCHEMBL25476261 0.62 NOS2 (0.47) KDM6BKDM4CHTR1AADRA1DADRA1A
SCHEMBL4142709 0.61 HTR1A (0.80) HTR1AADRA1DADRA1AADRA1B
SCHEMBL9180960 0.61 HTT (0.57) PDE5AKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931620-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIQUIDS Sanofi-Aventis (FR) 2008-06-18 EP disclosed
WO-2007034252-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIQUIDS SANOFI-AVENTIS (FR) 2007-03-29 WO disclosed