SCHEMBL17089963

SCHEMBL17089963

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](CNc2ccc(Oc3ccccc3)nc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
UCHL1 P09936 1/20 0.39
USP30 Q70CQ3 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
HPGDS O60760 1/20 0.37
ADAMTS4 O75173 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
GRN P28799 2/20 0.36
SORT1 Q99523 2/20 0.36
LTA4H P09960 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NPY5R Q15761 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL13564764 1.00 KMT2A (0.40) KMT2AUCHL1USP30RAB9ANPC1
SCHEMBL11936194 0.86 KCNH2 (0.39) KMT2AALDH1A1MAPTNPY5R
SCHEMBL17089944 0.86 ALDH1A1 (0.42) ALDH1A1MAPTNPY5RGFER
SCHEMBL13565600 0.86 ALDH1A1 (0.42) ALDH1A1MAPTNPY5RGFER
SCHEMBL13565696 0.86 KMT2A (0.40) KMT2AUCHL1USP30RAB9ANPC1
SCHEMBL13565478 0.83 CRHR1 (0.40) KMT2ARAB9ANPC1PKMALDH1A1
SCHEMBL17090319 0.83 CRHR1 (0.40) KMT2ARAB9ANPC1PKMALDH1A1
SCHEMBL11936224 0.83 NPY5R (0.42) HPGDSNPY5RMCHR1
SCHEMBL13564763 0.83 CNR2 (0.37) KMT2ANPY5RMCHR1
SCHEMBL17089955 0.83 CNR2 (0.37) KMT2ANPY5RMCHR1

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