SCHEMBL9968090

SCHEMBL9968090

CC(C)c1ncc2c3ccccc3n(C)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
MAPT P10636 4/20 0.41
CRHBP P24387 1/20 0.41

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
SCHEMBL9968072 0.78 DRD1 (0.46) GPR3SMN1; SMN2MAPTCRHBPCRHR2
SCHEMBL21311373 0.78 GPR3 (0.48) GPR3SMN1; SMN2GABRPGABRDGABRA1
SCHEMBL9968081 0.75 GPR3 (0.46) GPR3SMN1; SMN2GABRPGABRDGABRA1
SCHEMBL30941866 0.75 SMN1; SMN2 (0.47) GPR3SMN1; SMN2GABRPGABRDGABRA1
SCHEMBL9968082 0.74 GPR3 (0.48) GPR3SMN1; SMN2MAPTCRHBPCRHR2
SCHEMBL1609982 0.70 GPR3 (0.52) GPR3SMN1; SMN2GABRPGABRDGABRA1
SCHEMBL24768803 0.69 TLR7 (0.37) GPR3MAPTL3MBTL1LMNAHAVCR2
SCHEMBL17109976 0.68 GPR3 (0.54) GPR3SMN1; SMN2GABRPGABRDGABRA1
SCHEMBL280139 0.67 GPR3 (0.58) GPR3SMN1; SMN2MAPTNPSR1L3MBTL1
SCHEMBL24768800 0.67 LMNA (0.57) GPR3SMN1; SMN2MAPTNPSR1PRNP

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