SCHEMBL7492863

SCHEMBL7492863

CCOC(=O)N[C@H](CSc1ccccc1)C(=O)CCl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
ATM Q13315 1/20 0.44
CA2 P00918 1/20 0.44
CASP1 P29466 1/20 0.42
GAA P10253 2/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 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
SCHEMBL7493194 1.00 MTNR1A (0.45) MTNR1AMTNR1BATMCA2CASP1
SCHEMBL7492869 1.00 MTNR1A (0.45) MTNR1AMTNR1BATMCA2CASP1
SCHEMBL7493878 0.88 MTNR1A (0.48) MTNR1AMTNR1BCA2CASP1ALDH1A1
SCHEMBL7493884 0.88 MTNR1A (0.48) MTNR1AMTNR1BCA2CASP1ALDH1A1
SCHEMBL7499688 0.88 MTNR1A (0.48) MTNR1AMTNR1BCA2CASP1ALDH1A1
SCHEMBL7495758 0.86 CA2 (0.58) CA2CASP1
SCHEMBL7495766 0.86 CA2 (0.58) CA2CASP1
SCHEMBL5227527 0.86 CA2 (0.58) CA2CASP1
SCHEMBL6946788 0.85 MTNR1A (0.49) MTNR1AMTNR1BCA2ALDH1A1L3MBTL1
SCHEMBL6946792 0.85 MTNR1A (0.49) MTNR1AMTNR1BCA2ALDH1A1L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0969000-B1 Process for reducing alpha-amino ketones KANEKA CORP (JP) 2002-12-04 EP claimed
US-6255522-B1 USING AS REDUCING AGENT A REACTION PRODUCT OF ORGANOALUMINUM COMPOUND, SULFONATE AND ALCOHOL KANEKA CORPORATION (JP) 2001-07-03 US claimed
EP-0969000-A1 PROCESS FOR REDUCING $G(a)-AMINO KETONES KANEKA CORPORATION (JP) 2000-01-05 EP claimed
EP-0969000-B1 Process for reducing alpha-amino ketones KANEKA CORP (JP) 2002-12-04 EP disclosed
US-6255522-B1 USING AS REDUCING AGENT A REACTION PRODUCT OF ORGANOALUMINUM COMPOUND, SULFONATE AND ALCOHOL KANEKA CORPORATION (JP) 2001-07-03 US disclosed
EP-0969000-A1 PROCESS FOR REDUCING $G(a)-AMINO KETONES KANEKA CORPORATION (JP) 2000-01-05 EP disclosed