SCHEMBL5315344

SCHEMBL5315344

CCC(=O)c1ccc(C2CCC(N(Cc3ccccc3)C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
OPRM1 P35372 3/20 0.41
NR1H4 Q96RI1 1/20 0.40
AGER Q15109 3/20 0.39
MTNR1A P48039 1/20 0.39
CETP P11597 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
GCGR P47871 1/20 0.38
KDM1A O60341 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 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
SCHEMBL4801241 0.87 HSD11B1 (0.48) HSD11B1HDAC3HDAC1HDAC2NCOR2
SCHEMBL4801250 0.87 HSD11B1 (0.48) HSD11B1HDAC3HDAC1HDAC2NCOR2
SCHEMBL5265047 0.83 HSD11B1 (0.48) HSD11B1HDAC3HDAC1HDAC2NCOR2
SCHEMBL6276845 0.82 HSD11B1 (0.45) HSD11B1NR1H4
SCHEMBL5265045 0.82 HSD11B1 (0.44) HSD11B1HDAC3HDAC1HDAC2NCOR2
SCHEMBL29173108 0.81 HSD11B1 (0.53) HSD11B1HDAC3HDAC1HDAC2NCOR2
SCHEMBL4798444 0.81 HSD11B1 (0.44) HSD11B1HDAC3HDAC1HDAC2NCOR2
SCHEMBL4798450 0.81 HSD11B1 (0.44) HSD11B1HDAC3HDAC1HDAC2NCOR2
SCHEMBL4798488 0.81 ALDH1A1 (0.46) HSD11B1OPRM1
SCHEMBL4798484 0.81 ALDH1A1 (0.46) HSD11B1OPRM1

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
EP-1341753-B1 CYCLOHEXYL(ALKYL)-PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-09-26 EP disclosed
EP-1341753-A1 CYCLOHEXYL(ALKYL)-PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2003-09-10 EP disclosed
WO-2002044139-A1 CYCLOHEXYL(ALKYL)-PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed