SCHEMBL1900545

SCHEMBL1900545

CCCCCCC(=O)N[C@H]1CCc2c(c3ccccc3n2C(CC)C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
GSK3B P49841 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL1902623 1.00 MTNR1A (0.43) MTNR1AMTNR1BPTGDR2LMNATDP1
SCHEMBL1902050 1.00 MTNR1A (0.43) MTNR1AMTNR1BPTGDR2LMNATDP1
SCHEMBL1902048 1.00 MTNR1A (0.43) MTNR1AMTNR1BPTGDR2LMNATDP1
SCHEMBL1900547 1.00 MTNR1A (0.43) MTNR1AMTNR1BPTGDR2LMNATDP1
SCHEMBL1902813 0.93 MTNR1A (0.50) MTNR1AMTNR1BPTGDR2
SCHEMBL2492406 0.93 MTNR1A (0.50) MTNR1AMTNR1BPTGDR2
SCHEMBL1900922 0.88 MTNR1A (0.42) MTNR1AMTNR1BPTGDR2
SCHEMBL1904612 0.88 MTNR1A (0.42) MTNR1AMTNR1BPTGDR2
SCHEMBL1900925 0.88 MTNR1A (0.42) MTNR1AMTNR1BPTGDR2
SCHEMBL1899886 0.87 PTGDR2 (0.43) MTNR1AMTNR1BPTGDR2KDM4E

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