SCHEMBL9404451

SCHEMBL9404451

Fc1cccc2c1c(N1CCOCC1)nc1c(-c3nc(C4CC4)no3)ncn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.37
POLB P06746 1/20 0.36
USP30 Q70CQ3 1/20 0.36
LRRK2 Q5S007 2/20 0.35
HTR4 Q13639 2/20 0.35
GABRA1 P14867 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA6 Q16445 1/20 0.34
GRIA1 P42261 1/20 0.33
STK4 Q13043 1/20 0.32
STK3 Q13188 1/20 0.32
PIK3R2 O00459 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL9430240 0.90 HRH4 (0.39) OPRK1HTR4
SCHEMBL9404530 0.90 PDE4A (0.36) OPRK1POLBHTR4PDE4APDE4B
SCHEMBL7329892 0.89 KDM4E (0.39) OPRK1POLBUSP30LRRK2HTR4
SCHEMBL9430270 0.89 OPRK1 (0.41) OPRK1POLBUSP30HTR4GABRA1
SCHEMBL9404293 0.89 USP30 (0.38) OPRK1POLBUSP30HTR4KDM4E
SCHEMBL9404490 0.88 OPRK1 (0.35) OPRK1POLBUSP30HTR4KDM4E
SCHEMBL9404434 0.86 HTR4 (0.34) OPRK1HTR4GABRA1GABRA3GABRB2
SCHEMBL7321007 0.86 HTR4 (0.43) OPRK1POLBUSP30HTR4KDM4E
SCHEMBL9429862 0.85 HTR4 (0.34) OPRK1POLBHTR4KDM4EHTT
SCHEMBL9429875 0.85 HTR4 (0.34) OPRK1POLBHTR4KDM4EHTT

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