SCHEMBL3264153

SCHEMBL3264153

CC(=O)N1CCCC2CCCC=C21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.36
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
LMNA P02545 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31
QDPR P09417 1/20 0.30
DRD3 P35462 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL770764 0.86 SMN1; SMN2 (0.33) ALDH1A1
SCHEMBL2824470 0.84 ALDH1A1 (0.33) LMNAALDH1A1HPGDHIF1AHSD11B1
SCHEMBL769747 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL771484 0.81 LMNA (0.30) LMNA
SCHEMBL771465 0.81 LMNA (0.41) LMNAHPGD
SCHEMBL770161 0.79 DPP4 (0.37)
SCHEMBL3242488 0.79 HPGD (0.31) ALDH1A1HPGD
SCHEMBL770945 0.79 NAAA (0.36) LMNA
SCHEMBL770257 0.79 ALDH1A1 (0.37) LMNAALDH1A1
SCHEMBL770545 0.78 RBP4 (0.35) HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078001-B1 DIAZEPANE-ACETAMIDE DERIVATIVES AS SELECTIVE 11 -HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2010-05-12 EP claimed