SCHEMBL8566938

SCHEMBL8566938

Cc1nn(-c2ccc3c(c2)CCN(C)CC3)c(=O)n1[C@H]1CC[C@H](CCC(=O)O)CC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
DHODH Q02127 3/20 0.32
DGAT1 O75907 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
ACHE P22303 3/20 0.31
MCHR1 Q99705 2/20 0.31
DRD3 P35462 2/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL8566943 1.00 PPARD (0.33) PPARDPPARADHODHDGAT1ALDH1A1
Hydrochloric Acid SCHEMBL8561696 0.89 ACHE (0.39) PPARDPPARADHODHALDH1A1LMNA
Hydrochloric Acid SCHEMBL8564010 0.88 DRD2 (0.34) PPARDPPARAACHEDRD3DRD2
SCHEMBL7469952 0.83 L3MBTL1 (0.36) DGAT1ALDH1A1LMNAL3MBTL1MAPT
Hydrochloric Acid SCHEMBL7469837 0.82 L3MBTL1 (0.35) DGAT1ALDH1A1LMNAL3MBTL1MAPT
Hydrochloric Acid SCHEMBL8569741 0.81 DGAT1 (0.32) DGAT1PTGER3PTGER2ACHEMCHR1
SCHEMBL8558376 0.80 ESR1 (0.38) PPARDPPARADHODHPOLB
SCHEMBL8563986 0.80 ESR1 (0.38) PPARDPPARADHODHPOLB
SCHEMBL7392878 0.79 ITGB3 (0.40) DGAT1
SCHEMBL7398264 0.79 ITGB3 (0.40) DGAT1

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
EP-0612741-B1 Cyclic derivatives, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1998-06-10 EP disclosed
EP-0612741-A1 Cyclic derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-08-31 EP disclosed