SCHEMBL17090086

SCHEMBL17090086

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](CNCCCCc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
EPHX1 P07099 1/20 0.44
MMP8 P22894 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
SIGMAR1 Q99720 6/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.40
FDPS P14324 1/20 0.40

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
SCHEMBL13564861 1.00 POLB (0.44) POLBEPHX1MMP8HTR2AHRH1
SCHEMBL13565419 0.92 MEN1 (0.46) POLBEPHX1MMP8HTR2AHRH1
SCHEMBL13565579 0.85 SCN8A (0.38) KMT2A
SCHEMBL13565448 0.84 SMYD3 (0.38) POLBMAPTALDH1A1
SCHEMBL13564828 0.84 HTR2A (0.43) EPHX1HTR2AHRH1SIGMAR1MEN1
SCHEMBL13565454 0.84 LMNA (0.38) POLBMMP8MEN1KMT2AMAPT
SCHEMBL13565548 0.83 CNR2 (0.38) KMT2A
SCHEMBL10113305 0.83 CYP2C19 (0.51) POLBEPHX1MEN1KMT2AMAPT
SCHEMBL13203839 0.83 CYP2C19 (0.51) POLBEPHX1MEN1KMT2AMAPT
SCHEMBL13565711 0.82 MAPT (0.43) POLBMEN1KMT2AMAPTALDH1A1

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