SCHEMBL9688927

SCHEMBL9688927

Cn1c2ccccc2c2c(N)c(C(=O)O)c(-c3ccccc3)nc21

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 8/20 0.79
GABRD O14764 8/20 0.79
GABRA1 P14867 8/20 0.79
GABRB1 P18505 8/20 0.79
GABRG2 P18507 8/20 0.79
GABRB3 P28472 8/20 0.79
GABRA5 P31644 8/20 0.79
GABRA3 P34903 8/20 0.79
GABRA2 P47869 8/20 0.79
GABRB2 P47870 8/20 0.79
GABRA4 P48169 8/20 0.79
GABRE P78334 8/20 0.79
GABRA6 Q16445 8/20 0.79
GABRG1 Q8N1C3 8/20 0.79
GABRG3 Q99928 8/20 0.79
GABRQ Q9UN88 8/20 0.79
EGFR P00533 1/20 0.47
PDE10A Q9Y233 2/20 0.43
TSHR P16473 1/20 0.43
CSF1R P07333 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
SCHEMBL9688866 0.85 GABRP (0.76) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10463260 0.81 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9690819 0.79 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9689767 0.73 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL619836 0.72 DHODH (0.64) PDE10ATSHRDHODHLMNACYP2D6
SCHEMBL9688746 0.72 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9690837 0.72 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9690925 0.70 GABRP (0.78) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9690331 0.70 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9691022 0.69 KDM4E (0.48) 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