SCHEMBL8809271

SCHEMBL8809271

Nc1ccc2[nH]c(CC3CCCCC3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.51
MAPT P10636 8/20 0.46
KDM4E B2RXH2 5/20 0.46
GFER P55789 1/20 0.46
IDO1 P14902 3/20 0.45
PKM P14618 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CACNA1H O95180 3/20 0.43
CACNA1G O43497 2/20 0.41
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
RAD52 P43351 1/20 0.40
CACNA1C Q13936 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
SCHEMBL21034524 0.82 AAK1 (0.51) AAK1IDO1KMT2ACACNA1HCACNA1G
SCHEMBL17516021 0.82 AAK1 (0.51) AAK1IDO1CACNA1HCACNA1GLMNA
SCHEMBL21034692 0.82 IDO1 (0.54) AAK1IDO1TDP1CACNA1HCACNA1G
SCHEMBL21035054 0.82 AAK1 (0.48) AAK1KDM4EIDO1CACNA1HCACNA1G
SCHEMBL21034172 0.81 IDO1 (0.57) AAK1IDO1CACNA1HCACNA1GLMNA
SCHEMBL21035073 0.79 AAK1 (0.48) AAK1KDM4EIDO1KMT2ACACNA1H
SCHEMBL22787600 0.79 AAK1 (0.48) AAK1IDO1PKMCACNA1HCACNA1G
SCHEMBL21035092 0.79 IDO1 (0.57) AAK1IDO1CACNA1HCACNA1GLMNA
SCHEMBL6759257 0.78 IDO1 (0.68) AAK1IDO1PKMRAB9ASMN1; SMN2
SCHEMBL17493802 0.78 AAK1 (0.79) AAK1IDO1CACNA1HCACNA1G

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775134-A4 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMA CORP (US) 1997-08-13 EP disclosed
EP-0775134-A1 Imidazolin-2-ylaminobenzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-28 EP disclosed
WO-1996004270-A1 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-02-15 WO disclosed