SCHEMBL4048768

SCHEMBL4048768

CN1CCCC(COc2ccc3nc(-c4cccc(-c5ccccc5)c4)cn3n2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.47
ATM Q13315 3/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL15473558 0.83 PDE10A (0.43) PDE10AATMGABRA1GABRG2GABRB3
SCHEMBL3868180 0.81 MKNK1 (0.47) CHRNB2CHRNB4CHRNA3MEN1KMT2A
SCHEMBL3870151 0.80 PIM1 (0.51) ATMGABRA1GABRG2GABRB3GABRA5
SCHEMBL4056283 0.79 PDE10A (0.37) PDE10AGABRA1GABRG2GABRB3GABRA5
SCHEMBL15473696 0.78 PDE10A (0.38) PDE10AATMGABRA1GABRG2GABRB3
SCHEMBL4048771 0.76 GABRA1 (0.44) ATMGABRA1GABRG2GABRB3GABRA5
SCHEMBL15473971 0.75 ADORA2A (0.41) PDE10AKDM4EMAPTKMT2ANPSR1
SCHEMBL4050256 0.74 PDE10A (0.41) PDE10AKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL3865957 0.74 PIM1 (0.48) ATMGABRA1GABRG2GABRB3GABRA5
SCHEMBL3869784 0.73 ROCK2 (0.40) ATMGABRA1GABRG2GABRB3GABRA5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044071-A1 OOXO-SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINES, PRODUCTION AND USE THEREOF AS DRUGS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-08 EP claimed
WO-2007147646-A1 OXO-SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINES, PRODUCTION AND USE THEREOF AS DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO claimed