SCHEMBL835035

SCHEMBL835035

CC(=O)N(c1ccccc1)[C@@H]1CCc2c(c3ccccc3n2CC(=O)O)C1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.62
TBXA2R P21731 4/20 0.61
PTGDR Q13258 4/20 0.61
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
GLA P06280 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL7409341 0.87 PTGDR2 (0.72) PTGDR2TBXA2RPTGDRKDM4EMEN1
Hydrochloric Acid SCHEMBL7408565 0.85 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL2311331 0.80 PTGDR2 (0.60) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL832500 0.79 PTGDR2 (0.65) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL16561901 0.79 PTGDR2 (0.65) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL2310848 0.79 PTGDR2 (0.64) PTGDR2TBXA2RPTGDRKDM4EMEN1
Hydrochloric Acid SCHEMBL3020302 0.78 PTGDR2 (0.64) PTGDR2TBXA2RPTGDRKDM4EMEN1
Hydrochloric Acid SCHEMBL3020304 0.78 PTGDR2 (0.64) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL4509853 0.78 PTGDR2 (0.77) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL2309815 0.77 PTGDR2 (0.66) 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 1 patent. 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 claimed