SCHEMBL7362250

SCHEMBL7362250

O=C(O)COc1ccc(N2CCN(C(=O)CN3CCNCC3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ME2 P23368 1/20 0.56
ME1 P48163 1/20 0.56
ME3 Q16798 1/20 0.56
MAPT P10636 6/20 0.54
ALDH1A1 P00352 2/20 0.54
TPSAB1 Q15661 1/20 0.54
TPSD1 Q9BZJ3 1/20 0.54
TPSG1 Q9NRR2 1/20 0.54
MAPK1 P28482 1/20 0.54
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
ENPP2 Q13822 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
GAA P10253 3/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
GFER P55789 1/20 0.47
MEN1 O00255 2/20 0.47

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
SCHEMBL8473519 0.95 MAPT (0.54) ME2ME1ME3MAPTALDH1A1
Hydrochloric Acid SCHEMBL7362069 0.86 TPSAB1 (0.53) ME2ME1ME3MAPTALDH1A1
SCHEMBL12814351 0.85 ITGB3 (0.62) ME2ME1ME3MAPTALDH1A1
Hydrochloric Acid SCHEMBL8477696 0.84 ITGB3 (0.56) ME2ME1ME3MAPTALDH1A1
Hydrochloric Acid SCHEMBL7369072 0.82 TPSAB1 (0.53) ME2ME1ME3MAPTALDH1A1
Hydrochloric Acid SCHEMBL7358202 0.81 MAPK1 (0.51) ME2ME1ME3MAPTTPSAB1
SCHEMBL8325106 0.79 ITGB3 (0.55) ME2ME1ME3ALDH1A1TPSAB1
SCHEMBL8662762 0.78 ITGB3 (0.54) MAPTALDH1A1TPSAB1TPSD1TPSG1
SCHEMBL8662766 0.78 ITGB3 (0.54) MAPTALDH1A1TPSAB1TPSD1TPSG1
SCHEMBL5533561 0.77 ITGB3 (0.63) ME2ME1ME3MAPTALDH1A1

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
US-5994356-A ANTICOAGULANT KARL THOMAE (DE) 1999-11-30 US disclosed
EP-0892783-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION Dr. Karl Thomae GmbH (DE) 1999-01-27 EP disclosed
WO-1997037975-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION DR. KARL THOMAE GMBH (DE) 1997-10-16 WO disclosed