SCHEMBL7360486

SCHEMBL7360486

CCOC(=O)COc1ccc(N2CCN(CCC3CCN(C(=O)OC(C)(C)C)CC3)CC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.44
LIPE Q05469 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 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
SCHEMBL7364915 0.89 GPR119 (0.45) GPR119LIPEALDH1A1LMNAMEN1
SCHEMBL7368822 0.87 GPR119 (0.52) GPR119NPSR1
Hydrochloric Acid SCHEMBL8474572 0.84 HRH3 (0.41) HRH3ALDH1A1MEN1GAAKMT2A
SCHEMBL7363095 0.83 GPR119 (0.46) GPR119NPSR1
SCHEMBL4502678 0.82 GPR119 (0.60) GPR119ALDH1A1MAPT
SCHEMBL7365804 0.82 GPR119 (0.56) GPR119NPSR1
SCHEMBL7369686 0.81 HTR1A (0.47) GPR119
SCHEMBL4518109 0.81 GPR119 (0.59) GPR119
SCHEMBL4510094 0.80 GPR119 (0.42) GPR119ALDH1A1
SCHEMBL7365434 0.79 GPR119 (0.53) GPR119MAPT

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