SCHEMBL3972970

SCHEMBL3972970

CC[CH]N1CC=Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 6/20 0.36
P2RX1 P51575 4/20 0.36
P2RX3 P56373 4/20 0.36
P2RX7 Q99572 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PTBP1 P26599 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 2/20 0.31
SCN4A P35499 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL6248730 0.88 P2RX4 (0.35) P2RX4P2RX1P2RX3P2RX7SMN1; SMN2
SCHEMBL3453648 0.78 LMNA (0.36) P2RX4P2RX1P2RX3P2RX7SMN1; SMN2
SCHEMBL329494 0.78 LMNA (0.32) P2RX4P2RX1P2RX3LMNATSHR
SCHEMBL29486049 0.74 MAPT (0.38) P2RX4P2RX1P2RX3P2RX7SMN1; SMN2
SCHEMBL3714615 0.74 MAPT (0.38) P2RX4P2RX1P2RX3P2RX7SMN1; SMN2
Iodide SCHEMBL11405105 0.73 MAPT (0.37) P2RX4P2RX1P2RX3P2RX7SMN1; SMN2
SCHEMBL29434173 0.72 P2RX4 (0.37) P2RX4P2RX1P2RX3P2RX7SMN1; SMN2
SCHEMBL1198914 0.72 P2RX4 (0.37) P2RX4P2RX1P2RX3P2RX7SMN1; SMN2
SCHEMBL3262059 0.72 MAOB (0.33) P2RX4HRH1
SCHEMBL3628666 0.72 MAOB (0.33) P2RX4HRH1

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
EP-1638566-A4 SULFONAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-03-25 EP disclosed
EP-1638566-A2 SULFONAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-03-29 EP disclosed
WO-2005003064-A2 SULFONAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-01-13 WO disclosed
WO-2005003065-A2 SULFONAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-01-13 WO disclosed