SCHEMBL1898544

SCHEMBL1898544

CCCOC(=O)N[C@@H]1CCc2c(c3ccccc3n2C(CC)C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39
PTGDR2 Q9Y5Y4 6/20 0.38
TBXA2R P21731 3/20 0.38
PTGDR Q13258 3/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
ABCB11 O95342 1/20 0.37
CYP2C9 P11712 1/20 0.37
DRD1 P21728 1/20 0.37
CCKAR P32238 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36

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
SCHEMBL1898546 1.00 CA1 (0.39) CA1CA2ACHEPTGDR2TBXA2R
SCHEMBL1904450 1.00 CA1 (0.39) CA1CA2ACHEPTGDR2TBXA2R
SCHEMBL1903304 0.90 CA1 (0.48) CA1CA2ACHEMEN1TSHR
SCHEMBL1905551 0.90 CA1 (0.48) CA1CA2ACHEMEN1TSHR
SCHEMBL831617 0.90 CA1 (0.48) CA1CA2ACHEMEN1TSHR
SCHEMBL1900405 0.90 DRD2 (0.40) CA1CA2ACHEPTGDR2TBXA2R
SCHEMBL1902304 0.90 DRD2 (0.40) CA1CA2ACHEPTGDR2TBXA2R
SCHEMBL1902305 0.90 DRD2 (0.40) CA1CA2ACHEPTGDR2TBXA2R
SCHEMBL1902871 0.90 CA1 (0.43) CA1CA2ACHEPTGDR2TBXA2R
SCHEMBL1908128 0.90 CA1 (0.43) CA1CA2ACHEPTGDR2TBXA2R

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-2051962-B1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-26 EP disclosed
EP-2316824-A1 (3-Amino-1,2,3,4-tetrahydro-9H-carbazoI-9-yl)-acetic acid derivates Actelion Pharmaceuticals Ltd. (CH) 2011-05-04 EP disclosed