SCHEMBL1900925

SCHEMBL1900925

CCC(C(=O)O)n1c2c(c3ccccc31)CC(NC(=O)CCc1ccccc1)CC2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.42
TBXA2R P21731 2/20 0.39
PTGDR Q13258 2/20 0.39
ABCB11 O95342 1/20 0.39
CYP2C9 P11712 1/20 0.39
DRD1 P21728 1/20 0.39
CCKAR P32238 1/20 0.39
EPHX2 P34913 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 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
SCHEMBL1904612 1.00 MTNR1A (0.42) MTNR1AMTNR1BPTGDR2TBXA2RPTGDR
SCHEMBL1900922 1.00 MTNR1A (0.42) MTNR1AMTNR1BPTGDR2TBXA2RPTGDR
SCHEMBL1902813 0.92 MTNR1A (0.50) MTNR1AMTNR1BPTGDR2TBXA2RPTGDR
SCHEMBL2492406 0.92 MTNR1A (0.50) MTNR1AMTNR1BPTGDR2TBXA2RPTGDR
SCHEMBL1899886 0.92 PTGDR2 (0.43) MTNR1AMTNR1BPTGDR2TBXA2RPTGDR
SCHEMBL1900529 0.92 PTGDR2 (0.43) MTNR1AMTNR1BPTGDR2TBXA2RPTGDR
SCHEMBL1902244 0.90 PTGDR2 (0.54) MTNR1AMTNR1BPTGDR2TBXA2RPTGDR
SCHEMBL1902243 0.90 PTGDR2 (0.54) MTNR1AMTNR1BPTGDR2TBXA2RPTGDR
SCHEMBL1900545 0.88 MTNR1A (0.43) MTNR1AMTNR1BPTGDR2
SCHEMBL1902050 0.88 MTNR1A (0.43) MTNR1AMTNR1BPTGDR2

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