SCHEMBL1903101

SCHEMBL1903101

CCC(C(=O)O)n1c2c(c3cc(F)ccc31)CC(NC(=O)Cc1ccc(OC)cc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.49
EPHX2 P34913 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
HRH1 P35367 1/20 0.39
HTR6 P50406 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CCR3 P51677 1/20 0.38

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
SCHEMBL2492915 1.00 PTGDR2 (0.49) PTGDR2EPHX2SIGMAR1HRH1HTR6
SCHEMBL1903098 1.00 PTGDR2 (0.49) PTGDR2EPHX2SIGMAR1HRH1HTR6
SCHEMBL1903248 0.93 PTGDR2 (0.47) PTGDR2HRH1HTR6MTNR1AMTNR1B
SCHEMBL1899679 0.93 PTGDR2 (0.47) PTGDR2HRH1HTR6MTNR1AMTNR1B
SCHEMBL1899681 0.93 PTGDR2 (0.47) PTGDR2HRH1HTR6MTNR1AMTNR1B
SCHEMBL1898557 0.91 PTGDR2 (0.51) PTGDR2SIGMAR1HTR6CCR3
SCHEMBL1898556 0.91 PTGDR2 (0.51) PTGDR2SIGMAR1HTR6CCR3
SCHEMBL1900499 0.91 PTGDR2 (0.51) PTGDR2SIGMAR1HTR6CCR3
SCHEMBL1903879 0.91 PTGDR2 (0.56) PTGDR2SIGMAR1CCR3
SCHEMBL2488120 0.90 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