SCHEMBL6767845

SCHEMBL6767845

CCCOc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
ESR2 Q92731 1/20 0.60
HSD17B10 Q99714 1/20 0.60
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
DRD2 P14416 5/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
DRD1 P21728 1/20 0.48
HTT P42858 1/20 0.48
PDE3B Q13370 3/20 0.48
PDE3A Q14432 3/20 0.48
P2RY12 Q9H244 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL15932952 0.93 MAPT (0.60) MAPTESR2HSD17B10ALDH1A1HPGD
SCHEMBL3232045 0.86 HSD17B10 (0.80) MAPTESR2HSD17B10ALDH1A1HPGD
SCHEMBL7031273 0.84 MAPT (0.46) MAPTESR2HSD17B10ALDH1A1HPGD
SCHEMBL7031638 0.84 PDE3B (0.54) MAPTESR2HSD17B10ALDH1A1HPGD
SCHEMBL28890755 0.83 HPGD (0.75) MAPTESR2HSD17B10ALDH1A1HPGD
SCHEMBL7406783 0.83 MAPT (0.51) MAPTESR2HSD17B10ALDH1A1HPGD
SCHEMBL12321247 0.83 MAPT (0.51) MAPTESR2HSD17B10ALDH1A1HPGD
SCHEMBL252370 0.81 DRD2 (0.50) MAPTESR2HSD17B10ALDH1A1HPGD
SCHEMBL3400442 0.80 DRD2 (0.49) MAPTESR2HSD17B10DRD2DRD1
SCHEMBL7039556 0.78 PDE3B (0.57) MAPTESR2HSD17B10ALDH1A1HPGD

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