SCHEMBL17090132

SCHEMBL17090132

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](CNCCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.53
MAPK1 P28482 2/20 0.52
MAPT P10636 2/20 0.52
NPY5R Q15761 1/20 0.50
MTNR1A P48039 2/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
BLM P54132 1/20 0.49
HTR2A P28223 1/20 0.49
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL13565748 1.00 BCHE (0.53) BCHEMAPK1MAPTNPY5RMTNR1A
SCHEMBL13565880 0.86 NPY5R (0.62) BCHEMAPK1MAPTNPY5RMTNR1A
SCHEMBL10113302 0.85 MTNR1A (0.68) BCHEMAPTMTNR1AMEN1KMT2A
SCHEMBL13203825 0.85 MTNR1A (0.68) BCHEMAPTMTNR1AMEN1KMT2A
SCHEMBL1968351 0.83 BCHE (0.67) BCHEMAPK1MAPTMTNR1AMEN1
SCHEMBL13565419 0.79 MEN1 (0.46) MAPTMEN1KMT2ALMNATSHR
SCHEMBL13564832 0.79 SLC2A1 (0.39) BCHENPY5RHTR2AHTR1A
SCHEMBL20689740 0.79 BCHE (0.64) BCHEMAPK1MAPTMTNR1AMEN1
SCHEMBL22221910 0.79 BCHE (0.76) BCHEMAPK1MAPTMTNR1AMEN1
SCHEMBL22222026 0.79 BCHE (0.72) BCHEMAPK1MAPTMTNR1AMEN1

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-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed