SCHEMBL8235498

SCHEMBL8235498

O=C(c1nnn(-c2cccc(OC3CCS(=O)(=O)CC3)c2)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.43
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CYP3A4 P08684 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A2 P23975 2/20 0.36
POLB P06746 1/20 0.35
DPP4 P27487 3/20 0.35
DPP7 Q9UHL4 2/20 0.35
HRH1 P35367 1/20 0.35
SLC5A1 P13866 2/20 0.34
SCD5 Q86SK9 1/20 0.33

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
SCHEMBL3497281 0.87 FAAH (0.35) CA1CA2CA4CA9MEN1
SCHEMBL13340244 0.83 ABHD6 (0.45) DPP4
SCHEMBL3497279 0.81 POLB (0.35) CA1CA2CA4CA9MEN1
SCHEMBL3494933 0.73 FAAH (0.35) CA1CA2CA4CA9HCRTR1
SCHEMBL3495566 0.73 FAAH (0.37) CA1CA2CA4CA9MEN1
SCHEMBL13341297 0.71 CA1 (0.40) RENCA1CA2CA4CA9
SCHEMBL8235954 0.70 REN (0.41) RENCA1CA2CA4CA9
SCHEMBL8238111 0.70 ABHD6 (0.44) DPP4
SCHEMBL8229919 0.70 ABHD6 (0.42) DPP4
SCHEMBL4283361 0.69 CA1 (0.37) RENCA1CA2CA4CA9

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
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed