SCHEMBL9955896

SCHEMBL9955896

O=Cc1nc(Cl)oc1-c1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.39
GABRP O00591 3/20 0.38
GABRD O14764 3/20 0.38
GABRA1 P14867 3/20 0.38
GABRB1 P18505 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA2 P47869 3/20 0.38
GABRB2 P47870 3/20 0.38
GABRA4 P48169 3/20 0.38
GABRE P78334 3/20 0.38
GABRA6 Q16445 3/20 0.38
GABRG1 Q8N1C3 3/20 0.38
GABRG3 Q99928 3/20 0.38
GABRQ Q9UN88 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL9956413 0.82 NOTUM (0.39) NOTUMPDE4BNR4A1NR4A2NR4A3
SCHEMBL11750022 0.78 KDM4E (0.41) NOTUMGABRPGABRDGABRA1GABRB1
SCHEMBL9955368 0.77 KDM4E (0.41) NOTUMGABRPGABRDGABRA1GABRB1
SCHEMBL11750444 0.76 RXRA (0.45) KDM4EMEN1MAPTKMT2ANR4A2
SCHEMBL9956151 0.75 KDM4E (0.42) NOTUMGABRPGABRDGABRA1GABRB1
SCHEMBL9955196 0.73 L3MBTL1 (0.45) NOTUMGABRPGABRDGABRA1GABRB1
SCHEMBL9956374 0.73 NOTUM (0.44) NOTUMKDM4EMAPTNR4A1NR4A2
SCHEMBL11755076 0.73 ADORA2A (0.46) KDM4EMEN1MAPTKMT2ANR4A2
SCHEMBL472695 0.72 CASP3 (0.38) NOTUMMEN1MAPTKMT2A
SCHEMBL9955232 0.70 KDM4E (0.38) NOTUMKDM4EMEN1MAPTKMT2A

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
WO-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
WO-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed