SCHEMBL1900985

SCHEMBL1900985

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.47
POLB P06746 1/20 0.39
TBXA2R P21731 3/20 0.39
PTGDR Q13258 3/20 0.39
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP2C9 P11712 1/20 0.38
DRD1 P21728 1/20 0.38
CCKAR P32238 1/20 0.38
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1903995 1.00 PTGDR2 (0.47) PTGDR2POLBTBXA2RPTGDRMTNR1A
SCHEMBL1900980 1.00 PTGDR2 (0.47) PTGDR2POLBTBXA2RPTGDRMTNR1A
SCHEMBL1902813 0.90 MTNR1A (0.50) PTGDR2POLBTBXA2RPTGDRMTNR1A
SCHEMBL2492406 0.90 MTNR1A (0.50) PTGDR2POLBTBXA2RPTGDRMTNR1A
SCHEMBL1900529 0.89 PTGDR2 (0.43) PTGDR2POLBTBXA2RPTGDRMTNR1A
SCHEMBL1899886 0.89 PTGDR2 (0.43) PTGDR2POLBTBXA2RPTGDRMTNR1A
SCHEMBL833094 0.89 POLB (0.42) PTGDR2POLBTBXA2RPTGDRMTNR1A
SCHEMBL832985 0.87 POLB (0.43) PTGDR2POLBTBXA2RPTGDRMTNR1A
SCHEMBL1904612 0.87 MTNR1A (0.42) PTGDR2TBXA2RPTGDRMTNR1AMTNR1B
SCHEMBL1900922 0.87 MTNR1A (0.42) PTGDR2TBXA2RPTGDRMTNR1AMTNR1B

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