SCHEMBL7278705

SCHEMBL7278705

CCCCc1cc(-c2nnn[nH]2)ncc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.56
GABRD O14764 3/20 0.56
GABRA1 P14867 3/20 0.56
GABRB1 P18505 3/20 0.56
GABRG2 P18507 3/20 0.56
GABRB3 P28472 3/20 0.56
GABRA5 P31644 3/20 0.56
GABRA3 P34903 3/20 0.56
GABRA2 P47869 3/20 0.56
GABRB2 P47870 3/20 0.56
GABRA4 P48169 3/20 0.56
GABRE P78334 3/20 0.56
GABRA6 Q16445 3/20 0.56
GABRG1 Q8N1C3 3/20 0.56
GABRG3 Q99928 3/20 0.56
GABRQ Q9UN88 3/20 0.56
BRS3 P32247 9/20 0.39
HCAR3 P49019 2/20 0.38
HCAR2 Q8TDS4 2/20 0.38
KDM6B O15054 3/20 0.36

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 0.74 GABRP (0.70) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7279224 0.69 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4633468 0.69 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14199723 0.66 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11703415 0.66 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30740846 0.65 P4HA1 (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29403841 0.65 NOTUM (0.32) ALDH1A1
SCHEMBL11079329 0.65 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13611417 0.65 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6962603 0.64 NR1H2 (0.36) CYP3A4MAPTAGTR1AGTR2

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