SCHEMBL1995199

SCHEMBL1995199

CC(C)(C)[C@@]1(C)CN(Cc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)CCN1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 6/20 0.58
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTR2C P28335 1/20 0.40
MCHR1 Q99705 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
PRKAA2 P54646 2/20 0.38
SLC2A1 P11166 1/20 0.38
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37

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
SCHEMBL1997046 0.90 MEN1 (0.48) MLNRMEN1KMT2ANPC1RAB9A
SCHEMBL2003279 0.90 PRKAA2 (0.46) MLNRMEN1KMT2ANPC1RAB9A
SCHEMBL1998344 0.89 MLNR (0.44) MLNRMEN1KMT2ANPC1RAB9A
SCHEMBL1999248 0.89 MLNR (0.60) MLNRKMT2AHTR2CMCHR1KDM4E
SCHEMBL2003110 0.88 MLNR (0.63) MLNRKMT2ANR3C1MAPTNPSR1
SCHEMBL2002044 0.86 MLNR (0.42) MLNRMEN1KMT2ANPC1RAB9A
SCHEMBL1996929 0.86 KDM4E (0.46) MLNRMEN1KMT2ANPC1RAB9A
SCHEMBL1997143 0.85 MLNR (0.64) MLNRMEN1KMT2ANPC1RAB9A
SCHEMBL1997413 0.85 MLNR (0.42) MLNRMEN1KMT2AHTR2CMCHR1
SCHEMBL1999298 0.83 PRKAA2 (0.43) MLNRMEN1KMT2ANPC1RAB9A

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