SCHEMBL7279224

SCHEMBL7279224

CCCCc1cc(C#N)ncc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.63
GABRD O14764 3/20 0.63
GABRA1 P14867 3/20 0.63
GABRB1 P18505 3/20 0.63
GABRG2 P18507 3/20 0.63
GABRB3 P28472 3/20 0.63
GABRA5 P31644 3/20 0.63
GABRA3 P34903 3/20 0.63
GABRA2 P47869 3/20 0.63
GABRB2 P47870 3/20 0.63
GABRA4 P48169 3/20 0.63
GABRE P78334 3/20 0.63
GABRA6 Q16445 3/20 0.63
GABRG1 Q8N1C3 3/20 0.63
GABRG3 Q99928 3/20 0.63
GABRQ Q9UN88 3/20 0.63
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7286265 0.79 GABRP (0.70) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21063471 0.74 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4633468 0.74 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14199723 0.71 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27752918 0.71 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11703415 0.70 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22990213 0.70 CHEK1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29212795 0.70 TSHR (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11079329 0.70 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7278705 0.69 GABRP (0.56) 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
US-4904675-A Phamacologically active 5-carboxy-2-(5-tetrazolyl) pyridines ZYMA SA (CH) 1990-02-27 US disclosed
EP-0278908-A2 Heterocyclic compounds Zyma SA (CH) 1988-08-17 EP disclosed