SCHEMBL17090553

SCHEMBL17090553

Cc1cc(N2C[C@H](C)O[C@H](C)C2C)ccc1NCc1ccc(NS(=O)(=O)C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

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 2/20 0.31
BRD4 O60885 1/20 0.31
HSD11B1 P28845 2/20 0.30
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MAPT P10636 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 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
SCHEMBL13565966 1.00 L3MBTL1 (0.35) L3MBTL1CRHBPCRHR2ADRB3POLB
SCHEMBL13565668 0.88 L3MBTL1 (0.38) L3MBTL1CRHBPCRHR2ADRB3BRD4
SCHEMBL13565301 0.88 GAA (0.35) L3MBTL1CRHBPCRHR2ADRB3POLB
SCHEMBL11941266 0.87 L3MBTL1 (0.33) L3MBTL1CRHBPCRHR2POLBBRD4
SCHEMBL11936097 0.87 L3MBTL1 (0.33) L3MBTL1CRHBPCRHR2POLBBRD4
SCHEMBL17090249 0.87 L3MBTL1 (0.35) L3MBTL1CRHBPCRHR2ADRB3POLB
SCHEMBL13565938 0.87 L3MBTL1 (0.35) L3MBTL1CRHBPCRHR2ADRB3POLB
SCHEMBL17090245 0.84 L3MBTL1 (0.30) L3MBTL1CRHBPCRHR2LMNA
SCHEMBL13565803 0.84 L3MBTL1 (0.30) L3MBTL1CRHBPCRHR2LMNA
SCHEMBL10134530 0.83 ALDH1A1 (0.41) CRHBPCRHR2BRD4ALDH1A1MAPT

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