SCHEMBL7862923

SCHEMBL7862923

CCC(N)CCCC([NH])=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
ENPEP Q07075 5/20 0.41
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
S1PR2 O95136 5/20 0.32
S1PR1 P21453 5/20 0.32
S1PR3 Q99500 5/20 0.32
S1PR4 O95977 4/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 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
SCHEMBL7770032 0.86
SCHEMBL7862925 0.82 ALDH1A1 (0.44) ALDH1A1ENPEPCA2CA1DPP4
SCHEMBL13845456 0.80 PAOX (0.43) ALDH1A1ENPEPCA2CA1S1PR2
SCHEMBL1879462 0.80 ENPEP (0.63) ALDH1A1ENPEPGABRPGABRDGABRA1
Iodide SCHEMBL28846315 0.78 ENPEP (0.61) ALDH1A1ENPEPGABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL10990632 0.78 ENPEP (0.61) ALDH1A1ENPEPGABRPGABRDGABRA1
SCHEMBL7770087 0.77
SCHEMBL9823941 0.77 ALDH1A1 (0.44) ALDH1A1ENPEPCA2CA1S1PR2
SCHEMBL7131352 0.76 ALDH1A1 (0.52) ALDH1A1ENPEPCA2CA1S1PR2
SCHEMBL22056588 0.75 ENPEP (0.47) ALDH1A1ENPEPCA2CA1S1PR2

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-0747381-B1 CARBAPENEM DERIVATIVE BANYU PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5707987-A BACTERICIDE ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
EP-0747381-A1 CARBAPENEM DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-12-11 EP disclosed