SCHEMBL1900538

SCHEMBL1900538

O=C(NC1CCc2[nH]c3cc(Cl)c(F)cc3c2C1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
ACHE P22303 2/20 0.46
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
DPP4 P27487 3/20 0.41
DPP7 Q9UHL4 3/20 0.41
TLR4 O00206 1/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL1900537 1.00 CA1 (0.46) CA1CA2ACHEALDH1A1GAA
SCHEMBL1903534 0.86 ACHE (0.51) CA1CA2ACHEALDH1A1GAA
SCHEMBL1903537 0.86 ACHE (0.51) CA1CA2ACHEALDH1A1GAA
SCHEMBL1902989 0.84 CA1 (0.46) CA1CA2ACHEALDH1A1GAA
SCHEMBL1902987 0.84 CA1 (0.46) CA1CA2ACHEALDH1A1GAA
SCHEMBL14623662 0.82 CA1 (0.48) CA1CA2ACHEALDH1A1GAA
SCHEMBL13478797 0.82 CA1 (0.48) CA1CA2ACHEALDH1A1GAA
SCHEMBL1906344 0.82 CA1 (0.46) CA1CA2ACHEALDH1A1GAA
SCHEMBL1906343 0.82 CA1 (0.46) CA1CA2ACHEALDH1A1GAA
SCHEMBL1903949 0.81 CA1 (0.52) CA1CA2ACHEALDH1A1GAA

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