SCHEMBL9845934

SCHEMBL9845934

NCCCNC1(C=O)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIA1 P42261 2/20 0.38
GRIA2 P42262 2/20 0.38
GRIA3 P42263 2/20 0.38
GRIA4 P48058 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
CASP2 P42575 2/20 0.34
CA12 O43570 2/20 0.34
F13A1 P00488 2/20 0.34
CA2 P00918 2/20 0.34
CYP1A2 P05177 2/20 0.34
ALOX15 P16050 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34

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
SCHEMBL28334031 0.71 GRIN2D (0.50) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL11598387 0.69 GRIN2D (0.41) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL28902411 0.68 GRIN2D (0.40) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL11513297 0.68 GRIN2D (0.41) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL11650151 0.66 GRIN2D (0.36) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7456498 0.65
SCHEMBL29164954 0.64
SCHEMBL514741 0.63
SCHEMBL23745085 0.63 ADH1B (0.45)
SCHEMBL12124533 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0423577-A1 Polyamidelastomers, their preparation and use BAYER AG (DE) 1991-04-24 EP disclosed