SCHEMBL9317705

SCHEMBL9317705

CCCCc1cnc(C(=O)O)c(CCCC)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRB1 P18505 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
GABRA4 P48169 2/20 0.47
GABRE P78334 2/20 0.47
GABRA6 Q16445 2/20 0.47
GABRG1 Q8N1C3 2/20 0.47
GABRG3 Q99928 2/20 0.47
GABRQ Q9UN88 2/20 0.47
ALDH1A1 P00352 2/20 0.43
NFKB1 P19838 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL620569 0.79 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11823827 0.77 HCAR2 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8615225 0.76 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6717453 0.74 NFKB1 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27601974 0.74 HRH3 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28042932 0.73 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9316392 0.72 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3625268 0.71 KDM4E (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4878445 0.70 HCAR2 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24908448 0.70 GABRP (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP claimed