SCHEMBL9689816

SCHEMBL9689816

Cc1nc2c(c(N)c1C(=O)O)c1cc(Cl)ccc1n2C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 8/20 0.54
GABRD O14764 8/20 0.54
GABRA1 P14867 8/20 0.54
GABRB1 P18505 8/20 0.54
GABRG2 P18507 8/20 0.54
GABRB3 P28472 8/20 0.54
GABRA5 P31644 8/20 0.54
GABRA3 P34903 8/20 0.54
GABRA2 P47869 8/20 0.54
GABRB2 P47870 8/20 0.54
GABRA4 P48169 8/20 0.54
GABRE P78334 8/20 0.54
GABRA6 Q16445 8/20 0.54
GABRG1 Q8N1C3 8/20 0.54
GABRG3 Q99928 8/20 0.54
GABRQ Q9UN88 8/20 0.54
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL9690435 0.91 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9689780 0.87 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9688866 0.83 GABRP (0.76) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9690482 0.73 FABP3 (0.46) FABP3FABP4KMT2AKDM4EMAPT
SCHEMBL9688746 0.73 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28826058 0.73 KDM4E (0.46) GABRA1GABRG2GABRB3GABRA5KMT2A
SCHEMBL9690893 0.71 KMT2A (0.49) FABP3FABP4KMT2AKDM4E
SCHEMBL9689767 0.69 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9688927 0.68 GABRP (0.79) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9690539 0.68 GABRP (0.61) 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
EP-0249301-A1 Pyrido[2,3-b]indoles BEECHAM GROUP PLC (GB) 1987-12-16 EP claimed
EP-0249301-B1 Pyrido[2,3-b]indoles BEECHAM GROUP PLC (GB) 1992-05-27 EP disclosed
US-4952584-A TREATMENT OF PROPHYLAXIS OF ANXIETY OR DEPRESSION BEECHAM GROUP P.L.C. (GB) 1990-08-28 US disclosed
EP-0249301-A1 Pyrido[2,3-b]indoles BEECHAM GROUP PLC (GB) 1987-12-16 EP disclosed