SCHEMBL4660429

SCHEMBL4660429

c1ccc(C2(c3ccccc3)CCN(CCCn3cnc4ccccc43)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.65
DRD4 P21917 2/20 0.65
DRD3 P35462 2/20 0.65
P2RX7 Q99572 1/20 0.58
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
TSHR P16473 2/20 0.51
ALOX15 P16050 1/20 0.51
HTT P42858 3/20 0.49
EGLN3 Q9H6Z9 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL5847565 0.85 DRD2 (0.59) DRD2DRD4DRD3P2RX7TDP1
SCHEMBL29832319 0.81 DRD2 (0.71) DRD2DRD4DRD3P2RX7TDP1
SCHEMBL11711278 0.80 DRD2 (0.69) DRD2DRD4DRD3P2RX7TDP1
SCHEMBL15748185 0.79 DRD3 (1.00) DRD2DRD4DRD3P2RX7TDP1
SCHEMBL11507200 0.79 CCR3 (0.57) DRD2DRD4DRD3
SCHEMBL9814242 0.78 TDP1 (0.84) DRD2DRD4DRD3TDP1LMNA
SCHEMBL30294105 0.78 TDP1 (0.84) DRD2DRD4DRD3TDP1LMNA
SCHEMBL5337194 0.77 DRD2 (0.62) DRD2DRD4DRD3P2RX7TDP1
SCHEMBL11712233 0.77 DRD2 (0.65) DRD2DRD4DRD3P2RX7TDP1
SCHEMBL30150452 0.77 TDP1 (0.81) DRD2DRD4DRD3TDP1LMNA

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-2004613-A2 BICYCLIC BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2008-12-24 EP claimed
WO-2007115077-A2 BICYCLIC BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-10-11 WO claimed