SCHEMBL7714523

SCHEMBL7714523

CCCCCCOc1ccc2nc(-c3ccncc3)n(-c3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.48
CYP1A2 P05177 7/20 0.48
FGFR1 P11362 2/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 3/20 0.41
HRH3 Q9Y5N1 3/20 0.41
ADRA1A P35348 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AOC3 Q16853 1/20 0.40
PDE2A O00408 1/20 0.39

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
SCHEMBL7717836 0.93 PDE10A (0.51) PDE10ACYP1A2FGFR1KCNH2HRH3
SCHEMBL6618378 0.92 CYP3A4 (0.44) PDE10ACYP1A2CYP3A4CYP2D6KCNH2
SCHEMBL7719701 0.90 FGFR1 (0.52) PDE10ACYP1A2FGFR1KCNH2HRH3
SCHEMBL1378983 0.87 HDAC1 (0.49) PDE10ACYP1A2KCNH2HRH3ADRA1A
SCHEMBL2328061 0.85 PDE3B (0.48) PDE10ACYP1A2PDE2A
SCHEMBL7718954 0.85 PDE10A (0.48) PDE10ACYP1A2FGFR1KCNH2HRH3
SCHEMBL7714451 0.84 PDE2A (0.43) PDE10ACYP1A2FGFR1KCNH2HRH3
SCHEMBL2331041 0.82 FGFR1 (0.53) PDE10ACYP1A2FGFR1MEN1KMT2A
SCHEMBL2326240 0.82 ALDH1A1 (0.52) PDE10ACYP1A2MEN1KMT2AKCNH2
SCHEMBL7719698 0.82 PDE2A (0.42) PDE10ACYP1A2FGFR1DRD2DRD3

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-1246808-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-09 EP disclosed
WO-2001051473-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2001-07-19 WO disclosed