SCHEMBL6301641

SCHEMBL6301641

CCOC(=O)c1ccc2nc(C)n(Cc3ccc(-c4ccccc4)cc3Cl)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.51
PPARG P37231 2/20 0.49
PDE10A Q9Y233 1/20 0.48
RAB9A P51151 2/20 0.48
CYP1A2 P05177 1/20 0.48
NPC1 O15118 1/20 0.46
SIRT2 Q8IXJ6 3/20 0.45
SIRT1 Q96EB6 3/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.42

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
SCHEMBL6493004 0.94 PDE2A (0.47) PDE2APPARGPDE10ARAB9ACYP1A2
SCHEMBL6307363 0.89 PPARG (0.51) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL6168954 0.89 HDAC1 (0.54) PDE2APDE10ARAB9ACYP1A2NPC1
SCHEMBL6303650 0.88 PDE2A (0.49) PDE2APPARGPDE10ARAB9ACYP1A2
SCHEMBL7654594 0.88 PPARG (0.52) PDE2APPARGPDE10ARAB9ACYP1A2
SCHEMBL6169005 0.88 PDE2A (0.55) PDE2APPARGPDE10ARAB9ACYP1A2
SCHEMBL6168941 0.88 PDE2A (0.56) PDE2APPARGPDE10ARAB9ACYP1A2
SCHEMBL6173254 0.87 PPARG (0.62) PDE2APPARGPDE10ARAB9ANPC1
SCHEMBL6487796 0.87 PPARG (0.52) PDE2APPARGSIRT2SIRT1SIRT3
SCHEMBL6389924 0.86 PPARG (0.46) PDE2APPARGPDE10ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6869950-B1 Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-03-22 US disclosed
US-6420409-B1 GLUCOSE TOLERANCE, DIABETES,INSULIN RESISTANCE, POLYCYSTIC OVARY SYNDROME, HYPERLIPIDEMIA, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS, HYPERGLYCEMIA, HYPERTENSION, STENOCARDIA, PULMONARY HYPERTENSION, CONGESTIVE HEART FAILURE, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1142880-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
EP-1020452-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed