Sugi Predict

Sugi Predict / Compounds / SCHEMBL4983422

SCHEMBL4983422

SCHEMBL4983422

C[S+]([O-])N1CCC(O)(Cn2cnc(C(=O)N3CCN(C(=O)O)C[C@H]3Cc3ccccc3)c2-c2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 12/20 0.38
▸ CA2 P00918 12/20 0.38
▸ CA4 P22748 12/20 0.38
▸ CA9 Q16790 12/20 0.38
▸ USP7 Q93009 7/20 0.36
▸ USP19 O94966 1/20 0.35

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
SCHEMBL4290397 0.88 CA1 (0.40) CA1CA2CA4CA9USP7
SCHEMBL3492365 0.87 CHRM2 (0.39) CA1CA2CA4CA9USP7
SCHEMBL3495466 0.87 USP7 (0.47) CA1CA2CA4CA9USP7
SCHEMBL3491838 0.87 CA1 (0.42) CA1CA2CA4CA9USP7
SCHEMBL3493322 0.86 USP19 (0.41) CA1CA2CA4CA9USP7
SCHEMBL3493970 0.86 CA1 (0.39) CA1CA2CA4CA9USP7
SCHEMBL3492271 0.85 CA1 (0.44) CA1CA2CA4CA9
SCHEMBL3493481 0.82 CA1 (0.37) CA1CA2CA4CA9USP7
SCHEMBL3493573 0.81 CYP3A4 (0.39) CA1CA2CA4CA9
SCHEMBL3493603 0.81 CA1 (0.43) CA1CA2CA4CA9USP7

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