SCHEMBL12641815

SCHEMBL12641815

Cc1cc(CN2CCC(CCCc3ccccc3)CC2)cc2c1C(=O)N(Cc1ccc(O)cc1)C2

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.46
PARP1 P09874 3/20 0.44
OPRK1 P41145 1/20 0.43
PARP2 Q9UGN5 2/20 0.42
CHRM4 P08173 1/20 0.42
ALOX5 P09917 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
SCHEMBL2025260 0.88 GRM2 (0.49) ACHECHRM4
SCHEMBL12641816 0.86 HRH3 (0.38) ACHEPARP1PARP2
SCHEMBL12443025 0.84 ACHE (0.44) ACHEPARP1PARP2
SCHEMBL12641791 0.80 KDR (0.42) PARP1
SCHEMBL8271573 0.78 PARP1 (0.36) ACHEPARP1PARP2
SCHEMBL12641886 0.77 NMT1 (0.39)
SCHEMBL12441831 0.76 PARP1 (0.43) ACHEPARP1
SCHEMBL12442982 0.76 ACHE (0.50) ACHE
SCHEMBL2022243 0.76 GRM2 (0.46) CHRM4
SCHEMBL2028582 0.74 GRM2 (0.49) CHRM4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed