Sugi Predict

Sugi Predict / Compounds / SCHEMBL5141229

SCHEMBL5141229

SCHEMBL5141229

Cc1cc(C(=O)N2CCN(C(=O)O)C[C@H]2Cc2ccccc2)c(-c2ccccc2)n1-c1cccc(N)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 18/20 0.42
▸ CA2 P00918 18/20 0.42
▸ CA4 P22748 18/20 0.42
▸ CA9 Q16790 18/20 0.42
▸ NR1H2 P55055 2/20 0.37
▸ NR1H3 Q13133 2/20 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
SCHEMBL3494880 0.90 CA1 (0.41) CA1CA2CA4CA9
SCHEMBL3492546 0.90 CA1 (0.40) CA1CA2CA4CA9NR1H2
SCHEMBL3494701 0.90 NR1H2 (0.47) CA1CA2CA4CA9NR1H2
SCHEMBL3492893 0.88 FAAH (0.41) CA1CA2CA4CA9NR1H2
SCHEMBL3492897 0.88 CA1 (0.38) CA1CA2CA4CA9NR1H2
SCHEMBL3494099 0.87 NOTUM (0.47) CA1CA2CA4CA9
SCHEMBL3494032 0.87 CA1 (0.39) CA1CA2CA4CA9NR1H2
SCHEMBL3494368 0.87 CA1 (0.41) CA1CA2CA4CA9
SCHEMBL3495460 0.87 CA1 (0.40) CA1CA2CA4CA9
SCHEMBL3493355 0.85 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