SCHEMBL9404286

SCHEMBL9404286

Fc1cccc2c1c(N1CCOCC1)nc1c(-c3noc(C4CC4)n3)ncn12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.48
GABRB2 P47870 6/20 0.48
GABRA3 P34903 5/20 0.48
GABRA6 Q16445 3/20 0.48
CNR2 P34972 1/20 0.37
LRRK2 Q5S007 1/20 0.37
DGAT1 O75907 1/20 0.37

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
SCHEMBL9404475 0.90 GABRA1 (0.44) GABRA1GABRB2GABRA3GABRA6CNR2
SCHEMBL9429847 0.86 GABRA1 (0.41) GABRA1GABRB2GABRA3GABRA6LRRK2
SCHEMBL9430333 0.86 GABRA1 (0.43) GABRA1GABRB2GABRA3GABRA6LRRK2
SCHEMBL9429999 0.86 HTR3E (0.44) GABRA1GABRB2GABRA3GABRA6DGAT1
SCHEMBL9404245 0.86 GABRA1 (0.43) GABRA1GABRB2GABRA3GABRA6
SCHEMBL9404451 0.85 OPRK1 (0.37) GABRA1GABRB2GABRA3GABRA6LRRK2
SCHEMBL7321094 0.85 GABRA1 (0.48) GABRA1GABRB2GABRA3GABRA6
SCHEMBL9430479 0.84 GABRA1 (0.44) GABRA1GABRB2GABRA3GABRA6
SCHEMBL9430428 0.84 PIK3CA (0.35) GABRA1GABRB2GABRA3GABRA6LRRK2
SCHEMBL9404253 0.83 GABRA1 (0.44) GABRA1GABRB2GABRA3GABRA6

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
US-5371080-A Central nervous system disorders NOVO NORDISK A/S 1994-12-06 US disclosed
EP-0619820-A1 IMIDAZOQUINAZOLINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-10-19 EP disclosed
WO-1993013103-A1 IMIDAZOQUINAZOLINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-07-08 WO disclosed