SCHEMBL9804684

SCHEMBL9804684

CCCCC(C#N)(Cc1cncnc1)c1cccc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALOX15 P16050 4/20 0.32
HTR1B P28222 2/20 0.31
CNR1 P21554 4/20 0.31
CNR2 P34972 2/20 0.30
TLR8 Q9NR97 1/20 0.30
HTR1D P28221 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
SCHEMBL9804757 0.83 TLR7 (0.36) EBPSIGMAR1ALOX15HTR1BCNR1
SCHEMBL11662606 0.76 ADRA2A (0.43) EBPSIGMAR1ALOX15HTR1BHTR1D
SCHEMBL9804855 0.76 EBP (0.41) EBPSIGMAR1CNR1CNR2
SCHEMBL11469880 0.74 POLB (0.43)
SCHEMBL9804708 0.74 CYP19A1 (0.33) ALOX15
SCHEMBL9804907 0.73 CYP19A1 (0.43) EBPSIGMAR1
SCHEMBL10372331 0.70 MMP1 (0.41) EBPSIGMAR1ALOX15CNR1CNR2
SCHEMBL6680563 0.69 HTR1B (0.39) HTR1BCNR1CNR2HTR1D
SCHEMBL28039400 0.69 HTR1B (0.39) HTR1BCNR1CNR2HTR1D
SCHEMBL9804896 0.69 ATM (0.37) EBPSIGMAR1

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-0276920-B1 (2-CYANO-2-(PHENYL OR NAPHTHYL)-2-SUBSTITUTED-ETHYL) PYRAZINES, PYRIMIDINES AND PYRIDAZINES ROHM AND HAAS COMPANY (US) 1991-04-03 EP disclosed
EP-0276920-A1 (2-Cyano-2-(phenyl or naphthyl)-2-substituted-ethyl) pyrazines, pyrimidines and pyridazines ROHM AND HAAS COMPANY (US) 1988-08-03 EP disclosed