SCHEMBL1902243

SCHEMBL1902243

CCC(C(=O)O)n1c2c(c3cc(F)ccc31)C[C@@H](NC(=O)CCc1ccccc1)CC2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.54
TBXA2R P21731 3/20 0.40
PTGDR Q13258 3/20 0.40
ABCB11 O95342 1/20 0.40
CYP2C9 P11712 1/20 0.40
DRD1 P21728 1/20 0.40
CCKAR P32238 1/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL1902244 1.00 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL1900419 0.96 PTGDR2 (0.51) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL2490234 0.96 PTGDR2 (0.51) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL1905361 0.95 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL1905362 0.95 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL1904524 0.95 PTGDR2 (0.51) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL1904521 0.95 PTGDR2 (0.51) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL1901604 0.94 PTGDR2 (0.49) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL1901602 0.94 PTGDR2 (0.49) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL1900305 0.93 PTGDR2 (0.49) PTGDR2MTNR1AMTNR1B

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