SCHEMBL7590868

SCHEMBL7590868

CCCC(=O)C1CN=C(N)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 7/20 0.46
NOS1 P29475 7/20 0.46
NOS2 P35228 7/20 0.46
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRR1 P24046 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41

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
SCHEMBL7590882 0.85 NOS3 (0.47) NOS3NOS1NOS2GABRPGABRD
SCHEMBL4712321 0.67
SCHEMBL31348895 0.64 HSD17B10 (0.48) HSD17B10
SCHEMBL8156241 0.63
SCHEMBL2127808 0.63 CES2 (0.42) HSD17B10
SCHEMBL24227466 0.63 TSHR (0.37) HSD17B10
SCHEMBL4876708 0.63 CES2 (0.35) HSD17B10
SCHEMBL21432046 0.63 SMN1; SMN2 (0.48) HSD17B10
SCHEMBL27878299 0.63 MTNR1A (0.50)
SCHEMBL13969443 0.62 CES2 (0.38) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663394-B1 Process for preparing 5-aminodihydropyrrole, intermediate thereof and process for preparing said intermediate SUMITOMO CHEMICAL CO (JP) 2002-11-13 EP disclosed
US-5498725-A Process for preparing 5-aminodihydropyrrole intermediate thereof and process for preparing said intermediate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-03-12 US disclosed
EP-0663394-A1 Process for preparing 5-aminodihydropyrrole, intermediate thereof and process for preparing said intermediate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-07-19 EP disclosed