SCHEMBL1902259

SCHEMBL1902259

CCC(C(=O)O)n1c2c(c3cc(F)ccc31)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)CC2

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.50
TBXA2R P21731 2/20 0.42
LMNA P02545 1/20 0.41
IDO1 P14902 1/20 0.40
POLB P06746 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL2488120 1.00 PTGDR2 (0.50) PTGDR2TBXA2RLMNAIDO1POLB
SCHEMBL1905325 0.93 PTGDR2 (0.48) PTGDR2TBXA2R
SCHEMBL2492169 0.93 PTGDR2 (0.48) PTGDR2TBXA2R
SCHEMBL1905323 0.93 PTGDR2 (0.48) PTGDR2TBXA2R
SCHEMBL1898557 0.92 PTGDR2 (0.51) PTGDR2SIGMAR1
SCHEMBL1898556 0.92 PTGDR2 (0.51) PTGDR2SIGMAR1
SCHEMBL1900499 0.92 PTGDR2 (0.51) PTGDR2SIGMAR1
SCHEMBL1903879 0.92 PTGDR2 (0.56) PTGDR2TBXA2RSIGMAR1
SCHEMBL2487589 0.92 PTGDR2 (0.49) PTGDR2SIGMAR1
SCHEMBL2491410 0.91 PTGDR2 (0.50) PTGDR2SIGMAR1

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