SCHEMBL7430449

SCHEMBL7430449

CN1C(=O)C(N)C(c2ccccc2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44
GABRQ Q9UN88 1/20 0.44
AADAT Q8N5Z0 1/20 0.43
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41

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
SCHEMBL4992505 1.00 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4995973 1.00 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7420938 1.00 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8273860 0.81 AADAT (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28511020 0.81 KMT2A (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29639053 0.81 KMT2A (0.42) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL4892476 0.80 AADAT (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9952138 0.80 CHEK1 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29915854 0.80 CHEK1 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29462699 0.78 KMT2A (0.41) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1171878-C Compounds, their use and pharmaceutical compositions containing them ������˹ҩƷ��˾ 2004-10-20 CN disclosed
EP-1089980-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP disclosed
WO-1999067221-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed