SCHEMBL17090128

SCHEMBL17090128

CC(=O)c1ccc(NC[C@H]2CC[C@H](NS(=O)(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 4/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
NPY5R Q15761 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CRHR1 P34998 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
EPHX1 P07099 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
ALDH3A1 P30838 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL13565746 1.00 MEN1 (0.43) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL17090516 0.88 CRHR1 (0.47) MEN1KMT2AALDH1A1LMNANPY5R
SCHEMBL17090294 0.88 LMNA (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL13564735 0.88 LMNA (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL17090002 0.87 KDM1A (0.40) MEN1KMT2APOLBLMNANPY5R
SCHEMBL17089949 0.86 ALDH1A1 (0.50) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL13565755 0.86 ALDH1A1 (0.50) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL17090528 0.86 NPSR1 (0.36) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL13565324 0.86 NPSR1 (0.36) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL13213210 0.86 ALDH1A1 (0.39) ALDH1A1NPY5RCRHR1CNR2ALDH3A1

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