SCHEMBL1999378

SCHEMBL1999378

CC(C)(C)C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(N4CCOCC4)nc3)cc2)CCN1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 5/20 0.53
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 2/20 0.47
CYP2C9 P11712 1/20 0.47
DRD3 P35462 1/20 0.47
HTR6 P50406 1/20 0.47
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
GALR3 O60755 1/20 0.41
NAMPT P43490 3/20 0.41
CCR9 P51686 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.39

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
SCHEMBL1995581 0.92 MLNR (0.62) MLNRMEN1KMT2AGAACYP2C9
SCHEMBL2849480 0.88 MLNR (0.58) MLNRMEN1KMT2AGAACYP2C9
SCHEMBL1999376 0.82 MLNR (0.54) MLNRMEN1KMT2AGAACYP2C9
SCHEMBL2849659 0.80 MLNR (0.70) MLNRMEN1KMT2AGAACYP2C9
SCHEMBL1999380 0.79 MEN1 (0.48) MLNRMEN1KMT2AGAACYP2C9
SCHEMBL1996924 0.78 MLNR (0.83) MLNRMEN1KMT2AGAACYP2C9
SCHEMBL3658076 0.78 MLNR (0.54) MLNRMEN1KMT2AGAACYP2C9
SCHEMBL1995580 0.74 MLNR (0.64) MLNRLMNAMAPTPOLB
SCHEMBL377692 0.74 PKM (0.41) MEN1KMT2AGAAKDM4ENPC1
SCHEMBL377424 0.74 PKM (0.41) MEN1KMT2AGAAKDM4ENPC1

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-7964597-B2 Piperazinyl-sulfonamide derivatives useful in the treatment of GPR38 receptor mediated diseases GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed