SCHEMBL6205243

SCHEMBL6205243

O=C(NCc1ccccc1F)c1c[nH]c2ccccc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.68
GABRD O14764 1/20 0.68
GABRA1 P14867 1/20 0.68
GABRB1 P18505 1/20 0.68
GABRG2 P18507 1/20 0.68
GABRB3 P28472 1/20 0.68
GABRA5 P31644 1/20 0.68
GABRA3 P34903 1/20 0.68
GABRA2 P47869 1/20 0.68
GABRB2 P47870 1/20 0.68
GABRA4 P48169 1/20 0.68
GABRE P78334 1/20 0.68
GABRA6 Q16445 1/20 0.68
GABRG1 Q8N1C3 1/20 0.68
GABRG3 Q99928 1/20 0.68
GABRQ Q9UN88 1/20 0.68
LMNA P02545 1/20 0.64
CFTR P13569 8/20 0.58
RAB9A P51151 1/20 0.51
POLB P06746 2/20 0.50

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
SCHEMBL6204753 0.84 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6205660 0.83 ADORA2A (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30492028 0.82 L3MBTL1 (0.65) LMNACFTRRAB9APOLBMEN1
SCHEMBL29050140 0.82 L3MBTL1 (0.65) LMNACFTRRAB9APOLBMEN1
SCHEMBL6205420 0.82 POLB (0.69) LMNACFTRPOLBMEN1KMT2A
SCHEMBL6204124 0.82 POLB (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6205607 0.82 POLB (0.75) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6205450 0.81 BACE1 (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7742074 0.80 NHERF1 (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20147105 0.79 CFTR (0.66) GABRA1GABRB2LMNACFTRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177177-B1 SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-02-23 EP claimed