SCHEMBL4751920

SCHEMBL4751920

CCC1(O)CCCCC1n1cnc(C(=O)N2CCN(C(=O)O)C[C@H]2Cc2ccccc2)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 16/20 0.37
CA2 P00918 16/20 0.37
CA4 P22748 16/20 0.37
CA9 Q16790 16/20 0.37
SCD5 Q86SK9 1/20 0.35
ABHD6 Q9BV23 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
USP19 O94966 2/20 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
SCHEMBL4295293 0.94 CA1 (0.36) CA1CA2CA4CA9SCD5
SCHEMBL4290582 0.93 CA1 (0.36) CA1CA2CA4CA9SCD5
SCHEMBL4283674 0.93 CA1 (0.36) CA1CA2CA4CA9SCD5
SCHEMBL4283317 0.93 CA1 (0.36) CA1CA2CA4CA9SCD5
SCHEMBL4285594 0.93 CA1 (0.37) CA1CA2CA4CA9SCD5
SCHEMBL4296384 0.92 CA1 (0.37) CA1CA2CA4CA9SCD5
SCHEMBL4294422 0.92 CA1 (0.35) CA1CA2CA4CA9SCD5
SCHEMBL4286529 0.92 CA1 (0.35) CA1CA2CA4CA9SCD5
SCHEMBL4291478 0.92 CA1 (0.35) CA1CA2CA4CA9SCD5
SCHEMBL4286462 0.92 CA1 (0.38) CA1CA2CA4CA9SCD5

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed