SCHEMBL748321

SCHEMBL748321

N#Cc1cccc(-c2cncc(C3(N)CC3)c2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.39
CYP11B2 P19099 9/20 0.37
CYP11B1 P15538 8/20 0.37
DGAT1 O75907 1/20 0.34
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
CNR1 P21554 3/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
AKT1 P31749 2/20 0.32
AKT2 P31751 1/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
PTPN11 Q06124 1/20 0.32
GABRA1 P14867 1/20 0.31

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
SCHEMBL747735 0.77 CYP11B2 (0.54) CYP11B2CYP11B1
SCHEMBL28022369 0.66 ESR2 (0.48) DGAT1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28637595 0.66 ESR2 (0.54) CNR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL21518742 0.64 AKT1 (0.33) CYP11B2AKT1AKT2
SCHEMBL21518712 0.64 CYP11B1 (0.39) CYP11B2CYP11B1
SCHEMBL27884103 0.63 CYP11B1 (0.32) CYP11B2CYP11B1
SCHEMBL30550569 0.63 ESR2 (0.44) CNR2CYP11B2CYP11B1DGAT1CNR1
SCHEMBL28637596 0.61 AKT1 (0.41) AKT1AKT2
SCHEMBL3237062 0.61 TSHR (0.46)
SCHEMBL18189534 0.60 PGR (0.56) CYP11B2CYP11B1

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-2429995-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2012-03-21 EP disclosed
WO-2010130796-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 WO disclosed