SCHEMBL1999248

SCHEMBL1999248

Cc1cc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)nc2)ccc1CN1CCN(C(=O)O)[C@@](C)(C(C)(C)C)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 4/20 0.60
HTR2C P28335 1/20 0.36
MCHR1 Q99705 1/20 0.36
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 2/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RXRA P19793 3/20 0.33
SETD7 Q8WTS6 1/20 0.33
RORC P51449 1/20 0.33
CYP26A1 O43174 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33
NPY5R Q15761 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
SCHEMBL2003110 0.92 MLNR (0.63) MLNRKMT2ARETKDR
SCHEMBL1995199 0.89 MLNR (0.58) MLNRHTR2CMCHR1KMT2AKDM4E
SCHEMBL1998242 0.88 MLNR (0.60) MLNRKMT2AKCNH2PKMKDM4E
SCHEMBL1998238 0.86 MLNR (0.42) MLNRKMT2APKMKDM4EALDH1A1
SCHEMBL2849453 0.81 MLNR (0.73) MLNRKMT2AKCNH2SETD7RORC
SCHEMBL2003279 0.80 PRKAA2 (0.46) MLNRKMT2AKDM4EUSP2ALDH1A1
SCHEMBL2002475 0.80 MLNR (0.43) MLNRKMT2APKMUSP2ALDH1A1
SCHEMBL2003107 0.79 MLNR (0.47) MLNRKDM4ERETKDR
SCHEMBL1997046 0.79 MEN1 (0.48) MLNRKMT2APKMKDM4EUSP2
SCHEMBL2002729 0.79 MLNR (0.36) MLNRKMT2AKDM4EALDH1A1RET

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