SCHEMBL6574182

SCHEMBL6574182

CNC(=O)CC(SCc1ccccc1)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.45
ATM Q13315 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6576409 0.85 MEN1 (0.55) L3MBTL1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6576148 0.84 CYP2C19 (0.43) ATMPPARGPPARAL3MBTL1POLB
Hydrochloric Acid SCHEMBL8668132 0.83 CYP2C19 (0.42) ATMPPARGPPARAL3MBTL1POLB
SCHEMBL18683445 0.78 SLC6A3 (0.44) SLC6A3ATMPPARGPPARAL3MBTL1
SCHEMBL6578366 0.75 CYP2C19 (0.49) SLC6A3ATMPPARGPPARAL3MBTL1
SCHEMBL8352671 0.70 KMT2A (0.58) SLC6A3SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL3391787 0.69 PPARG (0.50) ATMPPARGPPARAL3MBTL1POLB
SCHEMBL29889513 0.69 TRPA1 (0.56) SLC6A3ATMPOLBNPC1RAB9A
SCHEMBL6577590 0.69 CYP2C19 (0.43) ATMPPARGPPARAL3MBTL1POLB
SCHEMBL24387811 0.68 MMP2 (0.55) SLC6A3ATMNPC1RAB9A

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-0870762-B1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2004-04-28 EP disclosed
EP-0870762-A1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed