SCHEMBL9968096

SCHEMBL9968096

Cn1c2ccccc2c2nc(CC(C)(C)C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.44
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRA4 P48169 2/20 0.40
GABRE P78334 2/20 0.40
GABRA6 Q16445 2/20 0.40
GABRG1 Q8N1C3 2/20 0.40
GABRG3 Q99928 2/20 0.40
GABRQ Q9UN88 2/20 0.40
PTGER4 P35408 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 2/20 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
SCHEMBL9968069 0.85 PDE10A (0.34) GAAKMT2AMEN1
SCHEMBL9968077 0.82 MAPT (0.38) LMNAMAPTKDM4EGAAKMT2A
SCHEMBL9968126 0.81 PDE10A (0.44) LMNASMN1; SMN2MAPTKDM4EGAA
SCHEMBL9968116 0.79 PRNP (0.45) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL9968067 0.78 GPR3 (0.50) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL9968106 0.77 GABRP (0.48) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL9968185 0.76 L3MBTL1 (0.34) PTGER4L3MBTL1LMNAMAPTKDM4E
SCHEMBL9968091 0.76 GPR3 (0.44) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL16625728 0.74 GPR3 (0.54) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL9968242 0.73 KDM4E (0.34) PTGER4L3MBTL1LMNAKDM4E

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
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed