SCHEMBL7334149

SCHEMBL7334149

O=C(/C=C/C(=O)On1cnc2c1CCC(C(=O)Nc1ccccc1)C2)On1cnc2c1CCC(C(=O)Nc1ccccc1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
GHSR Q92847 1/20 0.38
CYP46A1 Q9Y6A2 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP1 P09874 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
HTT P42858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GLA P06280 1/20 0.37
YAP1 P46937 1/20 0.37

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
SCHEMBL7331892 0.83 TSHR (0.49) MEN1GAAKMT2AHSD17B10SMN1; SMN2
SCHEMBL9051218 0.76 TSHR (0.51) HPGDMAPTKMT2AHSD17B10ALDH1A1
SCHEMBL9048666 0.73 ADRA2A (0.55) MAPTALDH1A1SMN1; SMN2
SCHEMBL9050459 0.73 RAB9A (0.39) MAPTMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL9074193 0.73 NOTUM (0.41)
SCHEMBL9051421 0.69 CNR1 (0.49) MAPTGAASMN1; SMN2
Fumaric Acid SCHEMBL7334141 0.68 HPGD (0.43) PTGDR2HPGDMAPTMEN1GAA
SCHEMBL6851321 0.68 HPGD (0.48) PTGDR2HPGDMAPTMEN1GAA
SCHEMBL13533519 0.66 HPGD (0.69) HPGDMAPTMEN1GAAGFER
Fumaric Acid SCHEMBL7334153 0.66 ADRA1A (0.47) PTGDR2HPGDMAPTMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376624-B1 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation YAMANOUCHI PHARMA CO LTD (JP) 1994-09-14 EP disclosed
US-4977175-A GASTROINTESTINAL DISORDERS, ANTIEMETICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-12-11 US disclosed
EP-0376624-A1 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1990-07-04 EP disclosed