SCHEMBL4980333

SCHEMBL4980333

Cc1cc(CN2CCN(C(=O)O)C[C@H]2Cc2ccccc2)c(-c2ccccc2)n1-c1cccc(N2CCS(=O)(=O)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.42
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34

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
SCHEMBL3492893 0.84 FAAH (0.41) FAAHCA1CA2CA4CA9
SCHEMBL3492897 0.78 CA1 (0.38) FAAHCA1CA2CA4CA9
SCHEMBL8237503 0.75 NR1H2 (0.46) FAAHNR1H2NR1H3
SCHEMBL3494779 0.73 CA1 (0.43) FAAHCA1CA2CA4CA9
SCHEMBL3494032 0.72 CA1 (0.39) CA1CA2CA4CA9NR1H2
SCHEMBL3493304 0.72 CA1 (0.35) FAAHCA1CA2CA4CA9
SCHEMBL27533150 0.71 CA1 (0.63) CA1CA2CA4CA9
SCHEMBL5141229 0.71 CA1 (0.42) CA1CA2CA4CA9NR1H2
SCHEMBL3494880 0.70 CA1 (0.41) CA1CA2CA4CA9
SCHEMBL3492546 0.69 CA1 (0.40) CA1CA2CA4CA9NR1H2

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