SCHEMBL8250145

SCHEMBL8250145

Cc1ccc(O)c(Cn2c(NCCN3CCOCC3)nc3ccc(CCl)cc32)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 2/20 0.54
DHFR P00374 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
EGFR P00533 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.38
APP P05067 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8241916 0.95 TRPC5 (0.49) TRPC5DHFRNPSR1TDP1ALDH1A1
SCHEMBL8250142 0.93 TRPC5 (0.54) TRPC5DHFRNPSR1TDP1ALDH1A1
SCHEMBL8250779 0.89 TRPC5 (0.49) TRPC5DHFRNPSR1TDP1ALDH1A1
SCHEMBL14007607 0.87 TRPC5 (0.56) TRPC5DHFRNPSR1TDP1ALDH1A1
SCHEMBL8284404 0.87 TRPC5 (0.40) TRPC5DHFRNPSR1TDP1ALDH1A1
SCHEMBL8253656 0.86 TRPC5 (0.52) TRPC5DHFRNPSR1TDP1ALDH1A1
SCHEMBL14002725 0.86 TRPC5 (0.47) TRPC5DHFRNPSR1TDP1ALDH1A1
SCHEMBL8252768 0.86 TRPC5 (0.63) TRPC5DHFRNPSR1TDP1ALDH1A1
SCHEMBL8285136 0.83 TRPC5 (0.47) TRPC5NPSR1TDP1ALDH1A1MEN1
SCHEMBL14002615 0.83 TRPC5 (0.49) TRPC5DHFRNPSR1TDP1ALDH1A1

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
WO-2006136561-A1 1- ( 2-AMINO-3- (SUBSTITUTED ALKYL)-3H-BENZIMIDAZOIYLMETHYL) -3-SUBTITUTED-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES WITH ACTIVITY ON RESPIRATORY SYNCYTIAL VIRUS TIBOTEC PHARMACEUTICALS LTD (IE) 2006-12-28 WO disclosed