SCHEMBL7570352

SCHEMBL7570352

CC(N)CCCCC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.52
GABRD O14764 2/20 0.52
GABRA1 P14867 2/20 0.52
GABRB1 P18505 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRA5 P31644 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 2/20 0.52
GABRB2 P47870 2/20 0.52
GABRA4 P48169 2/20 0.52
GABRE P78334 2/20 0.52
GABRA6 Q16445 2/20 0.52
GABRG1 Q8N1C3 2/20 0.52
GABRG3 Q99928 2/20 0.52
GABRQ Q9UN88 2/20 0.52
TP53 P04637 2/20 0.50
OPRM1 P35372 1/20 0.50
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL23772724 0.98 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7770091 0.92
Hydrochloric Acid SCHEMBL27458238 0.90 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL8711333 0.90 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7769413 0.84
SCHEMBL10098537 0.84
SCHEMBL16103222 0.84
SCHEMBL2031879 0.83 GABRP (0.70) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6519193 0.83 GABRP (0.70) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL23833329 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002065295-A METHOD OF PRODUCING OPTICALLY ACTIVE 2,6-DIAMINOHEPTANOIC ACID MITSUBISHI GAS CHEM CO INC 2002-03-05 JP disclosed
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