SCHEMBL5265045

SCHEMBL5265045

CC(=O)OOc1ccc(C2CCC(N(Cc3ccccc3)C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
NR1H4 Q96RI1 1/20 0.38
KDM1A O60341 3/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
CETP P11597 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
OPRM1 P35372 3/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP13 P45452 1/20 0.36
UBE2M P61081 1/20 0.36

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
SCHEMBL5265047 0.90 HSD11B1 (0.48) HSD11B1NR1H4KDM1AHDAC8HDAC6
SCHEMBL4801250 0.85 HSD11B1 (0.48) HSD11B1NR1H4KDM1AHDAC8HDAC6
SCHEMBL4801241 0.85 HSD11B1 (0.48) HSD11B1NR1H4KDM1AHDAC8HDAC6
SCHEMBL6276845 0.85 HSD11B1 (0.45) HSD11B1NR1H4MRGPRX4
SCHEMBL4798444 0.83 HSD11B1 (0.44) HSD11B1NR1H4KDM1AHDAC8HDAC6
SCHEMBL4798450 0.83 HSD11B1 (0.44) HSD11B1NR1H4KDM1AHDAC8HDAC6
SCHEMBL5315344 0.82 HSD11B1 (0.46) HSD11B1NR1H4KDM1AHDAC8HDAC6
SCHEMBL4798488 0.81 ALDH1A1 (0.46) HSD11B1OPRM1MRGPRX4
SCHEMBL4798484 0.81 ALDH1A1 (0.46) HSD11B1OPRM1MRGPRX4
SCHEMBL10207431 0.79 HSD11B1 (0.56) HSD11B1NR1H4JAK2JAK1HDAC3

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-1511722-B1 PHENYLCYCLOHEXYLPROPANOLAMINE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI AVENTIS (FR) 2007-10-03 EP disclosed
EP-1511722-A1 PHENYLCYCLOHEXYLPROPANOLAMINE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2005-03-09 EP disclosed
WO-2003099772-A1 PHENYLCYCLOHEXYLPROPANOLAMINE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2003-12-04 WO disclosed