SCHEMBL1997413

SCHEMBL1997413

CN(c1ccc(CN2CCN(C(=O)O)[C@@](C)(C(C)(C)C)C2)cc1)S(=O)(=O)c1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MLNR O43193 10/20 0.42
HTR2C P28335 1/20 0.36
MCHR1 Q99705 1/20 0.36
STAT3 P40763 3/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PRKAA2 P54646 1/20 0.35
S1PR1 P21453 1/20 0.34
CYP2D6 P10635 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL1996027 0.90 S1PR1 (0.39) MLNRSTAT3MEN1LMNAMAPT
SCHEMBL1997573 0.86 ALDH1A1 (0.39) STAT3MEN1LMNAMAPTKMT2A
SCHEMBL1995199 0.85 MLNR (0.58) MLNRHTR2CMCHR1MEN1LMNA
SCHEMBL2853570 0.79 MLNR (0.51) MLNRS1PR1
SCHEMBL2002044 0.78 MLNR (0.42) MLNRMEN1LMNAKMT2A
SCHEMBL2002729 0.78 MLNR (0.36) MLNRMEN1MAPTKMT2APRKAA2
SCHEMBL4134228 0.78 MLNR (0.59) MLNRHTR2CMCHR1PRKAA2
SCHEMBL1997046 0.76 MEN1 (0.48) MLNRMEN1LMNAMAPTKMT2A
SCHEMBL1999248 0.76 MLNR (0.60) MLNRHTR2CMCHR1LMNAKMT2A
SCHEMBL1999431 0.76 ALDH1A1 (0.34) STAT3MEN1LMNAMAPTKMT2A

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