SCHEMBL4128536

SCHEMBL4128536

COC(=O)CCS(=O)(=O)N1Cc2ccccc2C2(CCN(C3C4CC5CC(C4)CC3C5)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.39
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HRH1 P35367 3/20 0.35
HTR2B P41595 3/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD11B2 P80365 1/20 0.35
OPRL1 P41146 1/20 0.34

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
SCHEMBL1222985 0.83 NPY5R (0.39)
SCHEMBL4121389 0.81 MAPT (0.42) HSD11B1HTR2AHTR2CHRH1HTR2B
SCHEMBL1223475 0.76 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL1223177 0.76 HSD11B1 (0.61) HSD11B1HSD11B2
SCHEMBL12934959 0.76 HSD11B1 (0.47) HSD11B1HTR2AHTR2CHRH1HTR2B
SCHEMBL4119925 0.74 KDM4E (0.44) HSD11B1HTR2AHTR2CHRH1HTR2B
SCHEMBL12935704 0.71 HSD11B1 (0.42) HSD11B1HTR2AHTR2CHRH1HTR2B
SCHEMBL12935400 0.70 KDM4E (0.43) MAPK1
SCHEMBL1222272 0.70 HSD11B1 (0.49) HSD11B1USP2HSD11B2OPRL1
SCHEMBL12935781 0.70 KDM4E (0.42) OPRL1

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-2064187-A2 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Vitae Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
WO-2008024497-A2 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2008-02-28 WO disclosed