SCHEMBL6767607

SCHEMBL6767607

COC(=O)CCc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.54
PDE3A Q14432 5/20 0.54
P2RY12 Q9H244 5/20 0.54
GAA P10253 2/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 3/20 0.47
PTPN1 P18031 2/20 0.44
ALDH1A1 P00352 3/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6767362 0.85 PDE3B (0.65) PDE3BPDE3AP2RY12GAAPKM
SCHEMBL6768474 0.84 GAA (0.51) PDE3BPDE3AP2RY12GAAPKM
SCHEMBL6763763 0.84 GAA (0.54) PDE3BPDE3AP2RY12GAAPKM
SCHEMBL6772923 0.82 GAA (0.49) PDE3BPDE3AP2RY12GAAPKM
SCHEMBL31239037 0.81 GAA (0.54) PDE3BPDE3AP2RY12GAAPKM
SCHEMBL6766390 0.80 GAA (0.57) PDE3BPDE3AP2RY12GAAPKM
SCHEMBL6767765 0.79 KMT2A (0.49) GAAPKMMAPTALDH1A1KDM4E
SCHEMBL6893722 0.79 GAA (0.49) PDE3BPDE3AP2RY12GAAPKM
SCHEMBL13303940 0.78 GAA (0.68) PDE3BPDE3AGAAPKMMAPT
SCHEMBL5373119 0.78 MAPT (0.46) PDE3BPDE3AP2RY12GAAMAPT

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