SCHEMBL2551670

SCHEMBL2551670

CC(C)N1CCC(NS(=O)(=O)c2ccc(CNC3CCCC3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RECQL P46063 1/20 0.47
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
UCHL1 P09936 1/20 0.45
USP30 Q70CQ3 1/20 0.45
FABP6 P51161 1/20 0.45
KCNH2 Q12809 2/20 0.44
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 3/20 0.43
HTR1A P08908 2/20 0.42
HTR7 P34969 2/20 0.42
GAA P10253 1/20 0.42
NAMPT P43490 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL7716908 0.83 KDM4E (0.48) HRH3SMN1; SMN2KDM4ERECQLFABP6
SCHEMBL2555109 0.83 KDM4E (0.48) HRH3SMN1; SMN2KDM4ERECQLFABP6
SCHEMBL2547933 0.83 KDM4E (0.48) HRH3SMN1; SMN2KDM4ERECQLFABP6
SCHEMBL2553885 0.82 SMN1; SMN2 (0.56) HRH3SMN1; SMN2KDM4ERECQLFABP6
Hydrochloric Acid SCHEMBL2552429 0.82 KDM4E (0.47) HRH3SMN1; SMN2KDM4ERECQLFABP6
Hydrochloric Acid SCHEMBL2552428 0.82 KDM4E (0.47) HRH3SMN1; SMN2KDM4ERECQLFABP6
SCHEMBL2555154 0.81 KDM4E (0.48) HRH3SMN1; SMN2KDM4ERECQLOPRM1
SCHEMBL2553562 0.81 KDM4E (0.48) HRH3SMN1; SMN2KDM4ERECQLFABP6
SCHEMBL7716923 0.80 SMN1; SMN2 (0.54) HRH3SMN1; SMN2KDM4ERECQLFABP6
SCHEMBL2554540 0.80 KDM4E (0.47) HRH3SMN1; SMN2KDM4ERECQLFABP6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011121309-A1 PHENYL SULFONYL DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-06 WO disclosed
WO-2011121309-A1 PHENYL SULFONYL DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-06 WO disclosed