SCHEMBL4980116

SCHEMBL4980116

O=C(O)N1CCN(C(=O)c2nnn(-c3ccc(OCc4ccccc4)cc3)c2-c2ccccc2)C(Cc2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.39
CA2 P00918 12/20 0.39
CA4 P22748 12/20 0.39
CA9 Q16790 12/20 0.39
SLC6A7 Q99884 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
MAPT P10636 1/20 0.39
MGLL Q99685 1/20 0.38
MDM2 Q00987 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL3495888 0.90 CA1 (0.42) CA1CA2CA4CA9MGLL
SCHEMBL3494077 0.90 ABHD6 (0.52) ABHD6DAGLA
SCHEMBL4988386 0.86 AVPR2 (0.41) CA1CA2CA4CA9ABHD6
SCHEMBL3494999 0.84 POLB (0.41) CA1CA2CA4CA9MGLL
SCHEMBL3494204 0.84 POLB (0.41) CA1CA2CA4CA9MGLL
SCHEMBL3494080 0.83 MDM2 (0.38) SLC6A7MAPTMDM2KDM4E
SCHEMBL3494753 0.82 ABHD6 (0.49) ABHD6DAGLAMAPTMGLL
SCHEMBL3494932 0.82 ABHD6 (0.49) ABHD6DAGLAMAPTMGLL
SCHEMBL3493856 0.82 MEN1 (0.39) CA1CA2CA4CA9ABHD6
SCHEMBL3494118 0.81 CA1 (0.44) CA1CA2CA4CA9

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
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
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