SCHEMBL833094

SCHEMBL833094

CCC(C(=O)O)n1c2c(c3ccccc31)CC(NC(=O)O)CC2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
PTGDR2 Q9Y5Y4 6/20 0.42
TBXA2R P21731 3/20 0.41
PTGDR Q13258 3/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
ABCB11 O95342 1/20 0.40
CYP2C9 P11712 1/20 0.40
DRD1 P21728 1/20 0.40
CCKAR P32238 1/20 0.40
HTR6 P50406 2/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL832985 0.92 POLB (0.43) POLBPTGDR2TBXA2RPTGDRMEN1
SCHEMBL2489547 0.91 MTNR1A (0.45) POLBPTGDR2TBXA2RPTGDRMEN1
SCHEMBL1903730 0.91 MTNR1A (0.45) POLBPTGDR2TBXA2RPTGDRMEN1
SCHEMBL2492406 0.91 MTNR1A (0.50) POLBPTGDR2TBXA2RPTGDRMEN1
SCHEMBL1902813 0.91 MTNR1A (0.50) POLBPTGDR2TBXA2RPTGDRMEN1
SCHEMBL1899886 0.90 PTGDR2 (0.43) POLBPTGDR2TBXA2RPTGDRMEN1
SCHEMBL1900529 0.90 PTGDR2 (0.43) POLBPTGDR2TBXA2RPTGDRMEN1
SCHEMBL1903995 0.89 PTGDR2 (0.47) POLBPTGDR2TBXA2RPTGDRMEN1
SCHEMBL1904731 0.89 PTGDR2 (0.45) POLBPTGDR2TBXA2RPTGDRMEN1
SCHEMBL1900985 0.89 PTGDR2 (0.47) POLBPTGDR2TBXA2RPTGDRMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143304-B2 (3-amino-1,2,3,4-tetrahydro-9 H-carbazol-9-yl)-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2012-03-27 US disclosed
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