SCHEMBL694373

SCHEMBL694373

[c]1ccc2nn(CCc3ccccc3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.42
ADORA1 P30542 9/20 0.42
ADORA3 P0DMS8 9/20 0.42
POLB P06746 1/20 0.38
ADORA2B P29275 2/20 0.37
PTGS2 P35354 1/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL694597 0.86 PTGS2 (0.37) ADORA2AADORA1ADORA3PTGS2MAPT
SCHEMBL1095114 0.85 ADORA3 (0.42) ADORA2AADORA1ADORA3LMNA
SCHEMBL3482976 0.78 ADORA3 (0.32) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3482975 0.78 MEN1 (0.34)
SCHEMBL15516643 0.77 ALDH1A1 (0.38) MAPTRAB9ALMNA
SCHEMBL6752490 0.75 CNR2 (0.34)
SCHEMBL188339 0.74 NOTUM (0.33) HTTRECQL
SCHEMBL1129002 0.73 HDAC8 (0.48) ADORA2AADORA1ADORA3POLBADORA2B
SCHEMBL8558135 0.73 ADORA2A (0.48) ADORA2AADORA1ADORA3ADORA2BMAPT
SCHEMBL12419295 0.73 ADORA2A (0.40) ADORA2AADORA1ADORA3POLBADORA2B

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-2421851-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-02-29 EP claimed
WO-2010124102-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-2421851-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-02-29 EP disclosed
WO-2010124102-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed