SCHEMBL7844764

SCHEMBL7844764

CN(C)C(=O)Cc1ccc2c(c1)CCC2=O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.50
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HSD17B1 P14061 2/20 0.43
PARP1 P09874 1/20 0.43
ACACB O00763 1/20 0.43

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
Ammonia Solution, Strong SCHEMBL7592015 0.81 ALDH1A1 (0.43) AKR1B1PARP1
SCHEMBL4808780 0.81 AKR1B1 (0.68) AKR1B1CASP1CASP7HSD17B10HSD17B1
SCHEMBL1807895 0.80 AKR1B1 (0.50) AKR1B1CASP1CASP7HSD17B10HSD17B1
SCHEMBL28770218 0.80 CASP1 (0.51) AKR1B1CASP1CASP7HSD17B10HSD17B1
SCHEMBL7847761 0.79 BRD4 (0.50) AKR1B1CASP1CASP7HSD17B10HSD17B1
SCHEMBL7835705 0.79 AKR1B1 (0.47) AKR1B1CASP1CASP7HSD17B10HSD17B1
SCHEMBL14678411 0.79 ALDH1A1 (0.48) AKR1B1CASP1CASP7HSD17B10HSD17B1
SCHEMBL4813891 0.78 CASP1 (0.49) CASP1CASP7HSD17B10HSD17B1PARP1
SCHEMBL7847751 0.77 AKR1B1 (0.45) AKR1B1CASP1CASP7HSD17B10HSD17B1
SCHEMBL1807897 0.76 AKR1B1 (0.50) AKR1B1CASP1CASP7HSD17B10HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820455-B1 5H, 10H-IMIDAZO [1,2-a]INDENO [1,2-e]PYRAZIN-4-ONE DERIVATIVES, PREPARATION THEREOF, AND DRUGS CONTAINING SAID DERIVATIVES AVENTIS PHARMA SA (FR) 2001-10-31 EP disclosed
US-6057454-A USEFUL FOR TREATING OR PREVENTING ALL ISCHAEMIAS (SUCH AS FOCAL OR GLOBAL ISCHAEMIA) RESULTING FROM CEREBROVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2000-05-02 US disclosed
US-5902803-A 5H,10H-imidazo 1,2-a!indeno 1,2-e!pyrazin-4-one derivatives, preparation thereof, and drugs containing said derivatives RHONE-POULENC RORER S.A. (FR) 1999-05-11 US disclosed
EP-0820455-A1 5H, 10H-IMIDAZO [1,2-a]INDENO [1,2-e]PYRAZIN-4-ONE DERIVATIVES, PREPARATION THEREOF, AND DRUGS CONTAINING SAID DERIVATIVES Aventis Pharma S.A. (FR) 1998-01-28 EP disclosed
WO-1996031511-A1 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZIN-4-ONE DERIVATIVES, PREPARATION THEREOF, AND DRUGS CONTAINING SAID DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1996-10-10 WO disclosed