SCHEMBL3391997

SCHEMBL3391997

NC(=O)C1[C@@H]2CC3C[C@H]1C[C@](C(N)=O)(C3)C2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 18/20 0.43
HSD11B2 P80365 3/20 0.40
ALDH1A1 P00352 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 1/20 0.38
MCOLN3 Q8TDD5 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
SCHEMBL3391937 1.00 HSD11B1 (0.43) HSD11B1HSD11B2ALDH1A1CRHBPHTT
SCHEMBL975066 0.82 HSD11B1 (0.44) HSD11B1HSD11B2ALDH1A1CRHBPHTT
SCHEMBL975067 0.82 HSD11B1 (0.44) HSD11B1HSD11B2ALDH1A1CRHBPHTT
SCHEMBL3661870 0.82 HSD11B1 (0.44) HSD11B1HSD11B2ALDH1A1CRHBPHTT
SCHEMBL12093270 0.82 HSD11B1 (0.44) HSD11B1HSD11B2ALDH1A1CRHBPHTT
SCHEMBL975068 0.82 HSD11B1 (0.44) HSD11B1HSD11B2ALDH1A1CRHBPHTT
SCHEMBL176523 0.80 ALDH1A1 (0.52) HSD11B1ALDH1A1CRHBPHTTCRHR2
SCHEMBL6877661 0.80 ALDH1A1 (0.52) HSD11B1ALDH1A1CRHBPHTTCRHR2
Hydrochloric Acid SCHEMBL976495 0.80 HSD11B1 (0.43) HSD11B1HSD11B2ALDH1A1CRHBPHTT
Hydrochloric Acid SCHEMBL974232 0.80 HSD11B1 (0.43) HSD11B1HSD11B2ALDH1A1CRHBPHTT

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-2364311-B1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 SANOFI SA (FR) 2013-07-03 EP disclosed
WO-2010049635-A1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 SANOFI-AVENTIS (FR) 2010-05-06 WO disclosed