SCHEMBL6948576

SCHEMBL6948576

N[C@H](CCC(=O)O)c1nnn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 0.39
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39

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
SCHEMBL8341038 0.81 KDM4E (0.32) LMNA
SCHEMBL8893948 0.81 KDM4E (0.32) LMNA
SCHEMBL12145025 0.79 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14102937 0.75 NAALAD2 (0.57) NAALAD2FOLH1
SCHEMBL1285166 0.74 TBXAS1 (0.43) ENPEPNFKB1LMNATSHR
SCHEMBL17242863 0.72 GABRP (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1641200 0.71 TDP1 (0.34)
SCHEMBL10231795 0.71 GRM1 (0.34) GRM5GRM1LMNAMEN1KMT2A
SCHEMBL6954475 0.70 NAALAD2 (0.43) NAALAD2FOLH1
SCHEMBL17242795 0.70 CYSLTR2 (0.36) ENPEPMEN1TSHRKMT2A

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-0758328-B1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INT LTD (GB) 2003-07-16 EP disclosed
US-5747499-A CYCLOPENTAQUINAZOLINE COMPOUNDS CYCLOPENTAQUINAZOLINE COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1998-05-05 US disclosed
EP-0758328-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INTERNATIONAL LIMITED (GB) 1997-02-19 EP disclosed
WO-1995030673-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-16 WO disclosed