SCHEMBL13565006

SCHEMBL13565006

CC(C)S(=O)(=O)NC1CCC(CNCCSCc2c(Cl)cccc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.48
NPY5R Q15761 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 4/20 0.41
HTT P42858 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 7/20 0.40
HPGD P15428 5/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
PKM P14618 1/20 0.39
ALOX12 P18054 1/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL13565008 0.93 LMNA (0.53) RECQLLMNAALDH1A1HPGDPOLB
SCHEMBL17090080 0.85 RECQL (0.48) RECQLLMNAMAPTHTTSMN1; SMN2
SCHEMBL13564758 0.85 RECQL (0.48) RECQLLMNAMAPTHTTSMN1; SMN2
SCHEMBL10114046 0.84 RECQL (0.47) RECQLLMNAMAPTHTTSMN1; SMN2
SCHEMBL13564826 0.84 MAPT (0.41) NPY5RLMNAMAPTHTTSMN1; SMN2
SCHEMBL13564755 0.79 LMNA (0.53) RECQLLMNAALDH1A1HPGDPOLB
SCHEMBL17090084 0.79 LMNA (0.53) RECQLLMNAALDH1A1HPGDPOLB
SCHEMBL10114049 0.79 LMNA (0.52) LMNAALDH1A1HPGDPOLBCYP1A2
SCHEMBL13438701 0.77 RECQL (0.46) RECQLLMNAMAPTHTTSMN1; SMN2
SCHEMBL11934821 0.77 RECQL (0.46) RECQLLMNAMAPTHTTSMN1; SMN2

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed