SCHEMBL1902304

SCHEMBL1902304

CCC(C(=O)O)n1c2c(c3ccccc31)C[C@@H](NC(=O)OCC(C)C)CC2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.40
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
PTGDR2 Q9Y5Y4 6/20 0.38
TBXA2R P21731 3/20 0.37
PTGDR Q13258 3/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36
ABCB11 O95342 1/20 0.36
CYP2C9 P11712 1/20 0.36
DRD1 P21728 1/20 0.36
CCKAR P32238 1/20 0.36

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
SCHEMBL1900405 1.00 DRD2 (0.40) DRD2HTR1AHTR2APTGDR2TBXA2R
SCHEMBL1902305 1.00 DRD2 (0.40) DRD2HTR1AHTR2APTGDR2TBXA2R
SCHEMBL1898546 0.90 CA1 (0.39) PTGDR2TBXA2RPTGDRPOLBMEN1
SCHEMBL1904450 0.90 CA1 (0.39) PTGDR2TBXA2RPTGDRPOLBMEN1
SCHEMBL1898544 0.90 CA1 (0.39) PTGDR2TBXA2RPTGDRPOLBMEN1
SCHEMBL1905551 0.89 CA1 (0.48) MEN1TSHRKMT2ACA1CA2
SCHEMBL1903304 0.89 CA1 (0.48) MEN1TSHRKMT2ACA1CA2
SCHEMBL831617 0.89 CA1 (0.48) MEN1TSHRKMT2ACA1CA2
SCHEMBL1900255 0.87 KMT2A (0.42) DRD2PTGDR2TBXA2RPTGDRPOLB
SCHEMBL2489546 0.87 KMT2A (0.42) DRD2PTGDR2TBXA2RPTGDRPOLB

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