SCHEMBL6766573

SCHEMBL6766573

CN(C)Cc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
PKM P14618 1/20 0.58
PARP1 P09874 4/20 0.46
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
GRIA1 P42261 1/20 0.41
CACNG8 Q8WXS5 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.40
TNKS O95271 1/20 0.40
MEN1 O00255 1/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
TTK P33981 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
ALPL P05186 1/20 0.39
ALPI P09923 1/20 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
SCHEMBL625509 0.79 GAA (0.63) GAAPKMMAPTALDH1A1GRIA1
SCHEMBL2056376 0.79 GAA (0.63) GAAPKMMAPTALDH1A1GRIA1
SCHEMBL13303940 0.78 GAA (0.68) GAAPKMMAPTALDH1A1GRIA1
SCHEMBL6768025 0.76 PARP1 (0.58) GAAPKMPARP1MAPTALDH1A1
SCHEMBL6773086 0.76 GAA (0.51) GAAPKMMAPTALDH1A1GRIA1
SCHEMBL5393113 0.76 GAA (0.59) GAAPKMMAPTALDH1A1GRIA1
SCHEMBL1763460 0.75 GAA (0.96) GAAPKMPARP1MAPTALDH1A1
SCHEMBL9619832 0.75 GAA (0.63) GAAPKMPARP1MAPTALDH1A1
SCHEMBL3818109 0.75 GAA (0.63) GAAPKMMAPTALDH1A1GRIA1
SCHEMBL7597403 0.75 GAA (0.63) GAAPKMMAPTALDH1A1GRIA1

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-6699880-B1 STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-02 US disclosed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 EP disclosed