SCHEMBL1906344

SCHEMBL1906344

O=C(NC1CCc2[nH]c3ccc(C(F)(F)F)cc3c2C1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ACHE P22303 1/20 0.46
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
TACR1 P25103 4/20 0.43
HTR1A P08908 2/20 0.43
HTR1B P28222 2/20 0.43
HTR1D P28221 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
HTR1E P28566 1/20 0.42
HTR7 P34969 1/20 0.42
OPRM1 P35372 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
DPP4 P27487 1/20 0.42
KCNH2 Q12809 1/20 0.42
DPP7 Q9UHL4 1/20 0.42

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
SCHEMBL1906343 1.00 CA1 (0.46) CA1CA2ACHEALDH1A1GAA
SCHEMBL1903534 0.88 ACHE (0.51) CA1CA2ACHEALDH1A1GAA
SCHEMBL1903537 0.88 ACHE (0.51) CA1CA2ACHEALDH1A1GAA
SCHEMBL1875741 0.88 CA1 (0.45) CA1CA2ACHEALDH1A1GAA
SCHEMBL14623662 0.86 CA1 (0.48) CA1CA2ACHEALDH1A1GAA
SCHEMBL13478797 0.86 CA1 (0.48) CA1CA2ACHEALDH1A1GAA
SCHEMBL1879658 0.84 CA1 (0.47) CA1CA2ACHEALDH1A1GAA
SCHEMBL1880036 0.84 CA1 (0.47) CA1CA2ACHEALDH1A1GAA
SCHEMBL11835297 0.84 TACR1 (0.48) TACR1HTR1B
SCHEMBL16026774 0.83 HTR1B (0.51) HTR1AHTR1BHTR1DDRD2DRD4

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