SCHEMBL3879852

SCHEMBL3879852

O=C1c2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.58
CASP3 P42574 2/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TYR P14679 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL4638349 0.83 AGTR1 (0.47) AGTR1ABCG2
SCHEMBL12746490 0.82 AGTR1 (0.47) AGTR1ABCG2
SCHEMBL3883657 0.82 AGTR1 (0.47) AGTR1ABCG2HDAC6
SCHEMBL3875056 0.82 AGTR1 (0.49) AGTR1ABCG2
SCHEMBL30743612 0.81 ABCG2 (0.55) AGTR1NPSR1ABCG2
SCHEMBL4638846 0.80 ABCG2 (0.46) AGTR1CASP3ABCG2
SCHEMBL13679193 0.78 AGTR1 (0.55) AGTR1CASP3HDAC1HDAC7CA12
SCHEMBL15391225 0.78 AGTR1 (0.47) AGTR1ABCG2
SCHEMBL4638150 0.77 AGTR1 (0.45) AGTR1ABCG2
SCHEMBL9258720 0.77 AGTR1 (0.45) AGTR1

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-1899328-B1 A PROCESS FOR THE PREPARATION OF LOSARTAN DERIVATIVES BY CHLORINATION AND REDUCTION OF THE RESPECTIVE 1H-IMIDAZOLE-5-CARBALDEHYDES KRKA D D NOVO MESTO (SI) 2009-03-04 EP disclosed
EP-1741711-A1 A process for the preparation of losartan derivatives by chlorination and reduction of the respective 1H-imidazole-5-carbaldehydes KRKA, D.D., Novo Mesto (SI) 2007-01-10 EP disclosed