SCHEMBL7499688

SCHEMBL7499688

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.48
MTNR1B P49286 7/20 0.48
CA2 P00918 1/20 0.41
CASP1 P29466 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CTSG P08311 2/20 0.38
CMA1 P23946 2/20 0.38
FFAR1 O14842 1/20 0.37

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
SCHEMBL7493884 1.00 MTNR1A (0.48) MTNR1AMTNR1BCA2CASP1ALDH1A1
SCHEMBL7493878 1.00 MTNR1A (0.48) MTNR1AMTNR1BCA2CASP1ALDH1A1
SCHEMBL7492869 0.88 MTNR1A (0.45) MTNR1AMTNR1BCA2CASP1ALDH1A1
SCHEMBL7493194 0.88 MTNR1A (0.45) MTNR1AMTNR1BCA2CASP1ALDH1A1
SCHEMBL7492863 0.88 MTNR1A (0.45) MTNR1AMTNR1BCA2CASP1ALDH1A1
SCHEMBL7494588 0.87 PPARA (0.50) MTNR1AMTNR1B
SCHEMBL7490297 0.87 PPARA (0.50) MTNR1AMTNR1B
SCHEMBL6578569 0.87 PPARA (0.50) MTNR1AMTNR1B
SCHEMBL7924179 0.85 MTNR1A (0.53) MTNR1AMTNR1BCA2CASP1ALDH1A1
SCHEMBL6946788 0.85 MTNR1A (0.49) MTNR1AMTNR1BCA2ALDH1A1RAB9A

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