SCHEMBL22296156

SCHEMBL22296156

CC1=Cc2c(n(-c3c(C#N)cc(-c4c(-c5ccccc5)c(-c5cc(C#N)c(-n6c7ccc(C)cc7c7cc(C)ccc76)c(C#N)c5)c(-c5ccccc5)c(-c5cc(C#N)c(-n6c7ccc(C)cc7c7cc(C)ccc76)c(C#N)c5)c4-c4ccccc4)cc3C#N)c3ccc(C)cc23)CC1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.32
PDE9A O76083 1/20 0.31
PDE1C Q14123 1/20 0.31
ADRA2A P08913 2/20 0.31
DRD2 P14416 2/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR7 P34969 2/20 0.31
ADRA1A P35348 2/20 0.31
HRH1 P35367 2/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
RXFP1 Q9HBX9 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL17570583 0.85 PDE9A (0.39) PDE9APDE1CKDM4EALDH1A1RXFP1
SCHEMBL21950752 0.77 PDE9A (0.34) PDE9APDE1CKDM4EALDH1A1SMN1; SMN2
SCHEMBL17570592 0.74 MAOA (0.41) PDE9APDE1CKDM4EALDH1A1RXFP1
SCHEMBL27018739 0.74 PDE9A (0.39) PDE9APDE1CKDM4EALDH1A1RXFP1
SCHEMBL16127590 0.73 MAOA (0.38) KDM4EALDH1A1RXFP1SMN1; SMN2
SCHEMBL20596319 0.72 ALDH1A1 (0.45) PDE9APDE1CADRA2AKDM4EALDH1A1
SCHEMBL23894163 0.72 ADORA3 (0.30)
SCHEMBL24624341 0.71 PDE1C (0.43) PDE9APDE1CADRA2AKDM4EALDH1A1
SCHEMBL24623399 0.71 PDE1C (0.43) PDE9APDE1CADRA2AKDM4EALDH1A1
SCHEMBL24623468 0.70 ALDH1A1 (0.45) PDE9APDE1CADRA2AKDM4EALDH1A1

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-3375785-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-08-05 EP disclosed