SCHEMBL833095

SCHEMBL833095

CCOC(=O)NC1CCc2c(c3ccccc3n2CC(=O)O)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.58
TBXA2R P21731 5/20 0.58
PTGDR Q13258 5/20 0.58
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
GLA P06280 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ABCB11 O95342 1/20 0.47
CYP2C9 P11712 1/20 0.47
DRD1 P21728 1/20 0.47
CCKAR P32238 1/20 0.47

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
SCHEMBL833425 0.92 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL831435 0.92 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL831436 0.92 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL832438 0.89 PTGDR2 (0.55) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL832437 0.89 PTGDR2 (0.55) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL832491 0.89 PTGDR2 (0.55) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL833150 0.89 PTGDR2 (0.57) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL833827 0.89 PTGDR2 (0.57) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL833151 0.89 PTGDR2 (0.57) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL833576 0.88 PTGDR2 (0.65) PTGDR2TBXA2RPTGDRKDM4EMEN1

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