SCHEMBL20032159

SCHEMBL20032159

CCC(Cc1ccccn1)NCc1nccn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.44
ATAD2 Q6PL18 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.36
ADRA2C P18825 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
FDPS P14324 1/20 0.35
PTPRA P18433 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL20032162 0.90 ATAD2 (0.40) OPRK1ATAD2MEN1KMT2APOLB
SCHEMBL18158045 0.81 OPRK1 (0.44) OPRK1ATAD2MEN1KMT2AADRA2C
SCHEMBL19214872 0.80 OPRK1 (0.38) OPRK1MEN1KMT2AHRH3CYP1A2
SCHEMBL20661519 0.78 OPRK1 (0.40) OPRK1MEN1KMT2APOLBGRIN2B
SCHEMBL13661138 0.76 CHRM2 (0.49) OPRK1ATAD2MEN1KMT2AKDM4E
SCHEMBL19214814 0.74 HRH3 (0.39) POLBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18158022 0.73 ATAD2 (0.39) OPRK1ATAD2MEN1KMT2AKDM4E
SCHEMBL13661162 0.73 CYP1A2 (0.52) MEN1KMT2AKDM4EHRH3ALDH1A1
SCHEMBL19214785 0.73 TRPV3 (0.40) POLBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19214870 0.72 HRH1 (0.46) POLBGRIN2DGRIN3BGRIN1GRIN2A

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
US-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed