SCHEMBL17090249

SCHEMBL17090249

Cc1cc(N2C[C@H](C)O[C@H](C)C2C)c(C)cc1NCc1ccc(NS(=O)(=O)C(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
ADRB3 P13945 2/20 0.31
POLB P06746 1/20 0.31
HSD11B1 P28845 2/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL13565938 1.00 L3MBTL1 (0.35) L3MBTL1CRHBPCRHR2ADRB3POLB
SCHEMBL13566037 0.88 KDM4E (0.38) L3MBTL1CRHBPCRHR2ADRB3HSD11B1
SCHEMBL17090286 0.88 KDM4E (0.38) L3MBTL1CRHBPCRHR2ADRB3HSD11B1
SCHEMBL17090292 0.87 L3MBTL1 (0.33) L3MBTL1CRHBPCRHR2POLB
SCHEMBL13565966 0.87 L3MBTL1 (0.35) L3MBTL1CRHBPCRHR2ADRB3POLB
SCHEMBL17090553 0.87 L3MBTL1 (0.35) L3MBTL1CRHBPCRHR2ADRB3POLB
SCHEMBL13565803 0.86 L3MBTL1 (0.30) L3MBTL1CRHBPCRHR2
SCHEMBL17090245 0.86 L3MBTL1 (0.30) L3MBTL1CRHBPCRHR2
SCHEMBL10116329 0.83 CRHBP (0.40) CRHBPCRHR2ALDH1A1
SCHEMBL10134529 0.83 CRHBP (0.40) CRHBPCRHR2ALDH1A1

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed