SCHEMBL7365650

SCHEMBL7365650

CCOC(=O)COc1ccc(N2CCN(CCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)c(OCC(=O)OCC)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
DRD3 P35462 1/20 0.45
GPR119 Q8TDV5 13/20 0.44
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.39
MAPK1 P28482 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
SCHEMBL7368822 0.88 GPR119 (0.52) HTR1ADRD2HTR2ADRD3GPR119
SCHEMBL7369686 0.88 HTR1A (0.47) HTR1ADRD2HTR2ADRD3GPR119
SCHEMBL7365434 0.87 GPR119 (0.53) HTR1ADRD2HTR2ADRD3GPR119
Hydrochloric Acid SCHEMBL7365760 0.85 MAPK1 (0.39) HTR1ADRD2HTR2ADRD3ALDH1A1
SCHEMBL7365804 0.79 GPR119 (0.56) GPR119
SCHEMBL7360486 0.79 GPR119 (0.44) GPR119ALDH1A1
SCHEMBL7358222 0.78 GPR119 (0.51) DRD2DRD3GPR119ALDH1A1
SCHEMBL8226185 0.78 L3MBTL1 (0.55) GPR119ALDH1A1TSHRMAPK1
SCHEMBL7363095 0.77 GPR119 (0.46) GPR119
SCHEMBL7363614 0.76 GPR119 (0.46) DRD2DRD3GPR119ALDH1A1

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