SCHEMBL1901892

SCHEMBL1901892

CCC(C(=O)O)n1c2c(c3cc(F)ccc31)CC(NC(=O)CC1Cc3ccccc3C1)CC2

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.53
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
TBXA2R P21731 2/20 0.38
PTGDR Q13258 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 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
SCHEMBL1901890 1.00 PTGDR2 (0.53) PTGDR2MTNR1AMTNR1BTBXA2RPTGDR
SCHEMBL1903879 0.88 PTGDR2 (0.56) PTGDR2TBXA2RPTGDR
SCHEMBL1904444 0.87 PTGDR2 (0.62) PTGDR2TBXA2RPTGDRCYP2C9
SCHEMBL1904443 0.87 PTGDR2 (0.62) PTGDR2TBXA2RPTGDRCYP2C9
SCHEMBL1901648 0.86 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRCYP2C9
SCHEMBL1901650 0.86 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRCYP2C9
SCHEMBL1902185 0.86 PTGDR2 (0.42) PTGDR2MTNR1AMTNR1BPTGDRCYP1A2
SCHEMBL1902184 0.86 PTGDR2 (0.42) PTGDR2MTNR1AMTNR1BPTGDRCYP1A2
SCHEMBL1904540 0.86 PTGDR2 (0.49) PTGDR2MTNR1AMTNR1BTBXA2RPTGDR
SCHEMBL1904539 0.86 PTGDR2 (0.49) PTGDR2MTNR1AMTNR1BTBXA2RPTGDR

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