SCHEMBL7302293

SCHEMBL7302293

O=C(O)C[CH]C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
GRIK2 Q13002 1/20 0.35
EPHX2 P34913 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
LMNA P02545 1/20 0.34
EPHX1 P07099 1/20 0.33
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1477843 0.87
SCHEMBL5908925 0.79 GRIK1 (0.37) GRIK1ALDH1A1GRIK2CES2CES1
SCHEMBL27447815 0.79 EPHX1 (0.33) GRIK1ALDH1A1GRIK2CES2CES1
SCHEMBL17651119 0.77 ALDH1A1 (0.46) GRIK1ALDH1A1CYP2D6ALOX15GRIK2
SCHEMBL18173431 0.77 GABRA5 (0.43) ALDH1A1CYP2D6ALOX15LMNAEPHX1
SCHEMBL9159618 0.76 GRIK1 (0.35) GRIK1ALDH1A1CYP2D6GRIK2CES2
SCHEMBL11800427 0.73 GRIK1 (0.33) GRIK1ALDH1A1CYP2D6ALOX15GRIK2
SCHEMBL1043089 0.69
Bicarbonate SCHEMBL9329572 0.67 CES2 (0.39) GRIK1ALDH1A1GRIK2EPHX2CES2
SCHEMBL6043694 0.67 NPC1 (0.40) GRIK1ALDH1A1GRIK2EPHX2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643059-A1 3-(3-Pyridinyl)-1H-indoles as thromboxane A2 synthetase inhibitors Pfizer Limited (GB) 1995-03-15 EP claimed
EP-0594588-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS Pfizer Limited (GB) 1994-05-04 EP claimed
EP-0358398-B1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS Pfizer Limited (GB) 1993-03-10 EP claimed
WO-1991013054-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS PFIZER LIMITED (GB) 1991-09-05 WO claimed
EP-0358398-A1 Cycloalkyl-substituted glutaramide antihypertensive agents Pfizer Limited (GB) 1990-03-14 EP claimed
EP-0643059-A1 3-(3-Pyridinyl)-1H-indoles as thromboxane A2 synthetase inhibitors Pfizer Limited (GB) 1995-03-15 EP disclosed
EP-0594588-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS Pfizer Limited (GB) 1994-05-04 EP disclosed
EP-0558656-A1 NEW METHODS FOR THE CATALYTIC REDUCTION OF ORGANIC SUBSTRATES. MASSACHUSETTS INST TECHNOLOGY (US) 1993-09-08 EP disclosed
EP-0358398-B1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS Pfizer Limited (GB) 1993-03-10 EP disclosed
WO-1992009545-A2 NEW METHODS FOR THE CATALYTIC REDUCTION OF ORGANIC SUBSTRATES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1992-06-11 WO disclosed
WO-1991013054-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS PFIZER LIMITED (GB) 1991-09-05 WO disclosed
US-4975444-A INHIBITORS OF ANGIORENSIN-CONVERTING ENZYME AS WELL AS A ENDOPEPTIDASE; CARDIOTONIC AGENTS; GLAUCOMA; DIURETICS PFIZER INC. (US) 1990-12-04 US disclosed
EP-0358398-A1 Cycloalkyl-substituted glutaramide antihypertensive agents Pfizer Limited (GB) 1990-03-14 EP disclosed