SCHEMBL10425565

SCHEMBL10425565

CCCCN(CCCC)CCCc1ccc(C(=O)O)c(N)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
GAA P10253 2/20 0.41
DRD3 P35462 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 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
SCHEMBL10425557 0.94 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10425551 0.94 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
Dimethylamine SCHEMBL10426045 0.91 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10426616 0.90 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10426711 0.90 SCN1A (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3447161 0.87 BID (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10426044 0.87 TBK1 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29144911 0.86 KAT8 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10426164 0.85 HTR1A (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10426162 0.84 SIGMAR1 (0.40) GABRPGABRDGABRA1GABRB1GABRG2

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
US-4908394-A For polyurethane formation AIR PRODUCTS AND CHEMICALS, INC. (US) 1990-03-13 US claimed
EP-0300349-A1 Non-fugitive diaminobenzoate catalytic chain extenders AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-01-25 EP claimed
US-4908394-A For polyurethane formation AIR PRODUCTS AND CHEMICALS, INC. (US) 1990-03-13 US disclosed
EP-0300349-A1 Non-fugitive diaminobenzoate catalytic chain extenders AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-01-25 EP disclosed