SCHEMBL6992477

SCHEMBL6992477

CN1CCc2c(sc3c2C([N])N(CCCN2CCN(c4ncccn4)CC2)C=N3)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.39
DRD3 P35462 6/20 0.39
HTR1A P08908 12/20 0.39
ADRA1A P35348 10/20 0.39
ADRA1D P25100 9/20 0.39
HTR1B P28222 9/20 0.39
ADRA1B P35368 9/20 0.39
HTR7 P34969 3/20 0.37
DRD4 P21917 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC6A2 P23975 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HTR2A P28223 3/20 0.37
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL6992089 0.94 HTR1A (0.41) DRD2DRD3HTR1AADRA1AADRA1D
SCHEMBL6993895 0.86 HRH3 (0.38) DRD2DRD3HTR1AADRA1AADRA1D
SCHEMBL6989795 0.85 HTR1A (0.52) DRD2DRD3HTR1AADRA1AADRA1D
SCHEMBL6995968 0.85 HTR1A (0.51) DRD2DRD3HTR1AADRA1AADRA1D
SCHEMBL6998070 0.84 HTR1A (0.44) DRD2DRD3HTR1AADRA1AADRA1D
SCHEMBL6989660 0.84 HTR1A (0.42) DRD2DRD3HTR1AADRA1AADRA1D
SCHEMBL6994228 0.83 HTR1A (0.48) DRD2DRD3HTR1AADRA1AADRA1D
SCHEMBL6993063 0.83 HTR1A (0.41) DRD2DRD3HTR1AADRA1AADRA1D
SCHEMBL6993375 0.83 OPRM1 (0.43) DRD2DRD3HTR1AADRA1AADRA1D
SCHEMBL7092290 0.83 HTR1A (0.53) DRD2DRD3HTR1AADRA1AADRA1D

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-0927184-B1 3-SUBSTITUTED PYRIDO 4',3':4,5]THIENO 2,3-D]PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE ABBOTT GMBH & CO KG (DE) 2003-10-22 EP disclosed