SCHEMBL9690959

SCHEMBL9690959

C=CCn1c2ccccc2c2c(N)c(C(=O)O)c(C)nc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 8/20 0.59
GABRD O14764 8/20 0.59
GABRA1 P14867 8/20 0.59
GABRB1 P18505 8/20 0.59
GABRG2 P18507 8/20 0.59
GABRB3 P28472 8/20 0.59
GABRA5 P31644 8/20 0.59
GABRA3 P34903 8/20 0.59
GABRA2 P47869 8/20 0.59
GABRB2 P47870 8/20 0.59
GABRA4 P48169 8/20 0.59
GABRE P78334 8/20 0.59
GABRA6 Q16445 8/20 0.59
GABRG1 Q8N1C3 8/20 0.59
GABRG3 Q99928 8/20 0.59
GABRQ Q9UN88 8/20 0.59
LMNA P02545 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RXFP1 Q9HBX9 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
SCHEMBL9690871 0.86 GABRP (0.77) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9690819 0.86 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9690539 0.84 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9690931 0.82 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9690380 0.81 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10462443 0.81 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9688866 0.80 GABRP (0.76) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9690457 0.78 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5927866 0.71
SCHEMBL9382136 0.70 KDM4E (0.46) 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