SCHEMBL2489547

SCHEMBL2489547

CCC(C(=O)O)n1c2c(c3ccccc31)CC(NC(=O)c1ccccc1)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
RB1 P06400 1/20 0.41
PTGDR2 Q9Y5Y4 6/20 0.40
POLB P06746 1/20 0.40
TBXA2R P21731 3/20 0.40
PTGDR Q13258 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 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
SSTR5 P35346 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
SCHEMBL1903730 1.00 MTNR1A (0.45) MTNR1AMTNR1BRB1PTGDR2POLB
SCHEMBL833094 0.91 POLB (0.42) MTNR1AMTNR1BPTGDR2POLBTBXA2R
SCHEMBL832985 0.89 POLB (0.43) MTNR1AMTNR1BPTGDR2POLBTBXA2R
SCHEMBL1902813 0.88 MTNR1A (0.50) MTNR1AMTNR1BPTGDR2POLBTBXA2R
SCHEMBL2492406 0.88 MTNR1A (0.50) MTNR1AMTNR1BPTGDR2POLBTBXA2R
SCHEMBL1900529 0.87 PTGDR2 (0.43) MTNR1AMTNR1BPTGDR2POLBTBXA2R
SCHEMBL1899886 0.87 PTGDR2 (0.43) MTNR1AMTNR1BPTGDR2POLBTBXA2R
SCHEMBL1903995 0.86 PTGDR2 (0.47) MTNR1AMTNR1BPTGDR2POLBTBXA2R
SCHEMBL1904728 0.86 PTGDR2 (0.45) PTGDR2POLBTBXA2RPTGDRMEN1
SCHEMBL1904731 0.86 PTGDR2 (0.45) PTGDR2POLBTBXA2RPTGDRMEN1

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 1 patent. 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