SCHEMBL5722149

SCHEMBL5722149

Nc1ccc2c(c1)ncn2CC1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
CDK9 P50750 11/20 0.44
PIK3CD O00329 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
IKZF3 Q9UKT9 1/20 0.41
FGFR1 P11362 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL16736623 0.90 MAPT (0.62) MAPTHSD17B10GABRG2GABRB3GABRA5
SCHEMBL7034135 0.86 MAPT (0.57) MAPTHSD17B10GABRG2GABRB3GABRA5
SCHEMBL29587146 0.82 MAPT (0.56) MAPTHSD17B10DDB1CRBNIKZF3
SCHEMBL8036351 0.80 HSD17B10 (0.52) HSD17B10CNR2CDK9FGFR1
SCHEMBL521597 0.77 HSD17B10 (0.64) MAPTHSD17B10FGFR1
SCHEMBL16034860 0.76 CDK9 (0.48) CNR1CNR2CDK9
SCHEMBL7035608 0.75 NPSR1 (0.49) MAPTHSD17B10CDK9PIK3CDGABRG2
SCHEMBL23902660 0.75 CNR2 (0.49) CNR1CNR2PIK3CD
SCHEMBL30364834 0.75 CNR2 (0.49) CNR1CNR2PIK3CD
SCHEMBL29052884 0.74 F2 (0.49) CDK9CYP11B2

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-1673369-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-28 EP disclosed
WO-2005030761-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 WO disclosed