SCHEMBL6754802

SCHEMBL6754802

N#Cc1ccc2c(c1)ncn2-c1cccc(N2CCOCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 8/20 0.50
GABRD O14764 8/20 0.50
GABRA1 P14867 8/20 0.50
GABRB1 P18505 8/20 0.50
GABRG2 P18507 8/20 0.50
GABRB3 P28472 8/20 0.50
GABRA5 P31644 8/20 0.50
GABRA3 P34903 8/20 0.50
GABRA2 P47869 8/20 0.50
GABRB2 P47870 8/20 0.50
GABRA4 P48169 8/20 0.50
GABRE P78334 8/20 0.50
GABRA6 Q16445 8/20 0.50
GABRG1 Q8N1C3 8/20 0.50
GABRG3 Q99928 8/20 0.50
GABRQ Q9UN88 8/20 0.50
HPGD P15428 1/20 0.47
FGFR1 P11362 4/20 0.45
SRC P12931 3/20 0.45
PIK3CB P42338 1/20 0.43

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
SCHEMBL2650164 0.89 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2649935 0.88 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2649958 0.86 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1761724 0.85 KDR (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8009170 0.78 FGFR1 (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1761539 0.78 GABRA1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2644190 0.78 GABRA1 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1761861 0.78 GABRA1 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3783100 0.77 DRD2 (0.68) HPGDDRD2DRD3TBK1PRKDC
SCHEMBL1762149 0.75 HPGD (0.56) HPGDFGFR1

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
US-6710044-B2 Technical field NEUROSEARCH A/S (DK) 2004-03-23 US claimed