SCHEMBL1900529

SCHEMBL1900529

CCC(C(=O)O)n1c2c(c3ccccc31)C[C@H](NC(=O)Cc1ccccc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
EPHX2 P34913 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
POLB P06746 1/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
TBXA2R P21731 2/20 0.39
PTGDR Q13258 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL1899886 1.00 PTGDR2 (0.43) PTGDR2MEN1KMT2AEPHX2SIGMAR1
SCHEMBL1904612 0.92 MTNR1A (0.42) PTGDR2EPHX2MTNR1AMTNR1BTBXA2R
SCHEMBL1900922 0.92 MTNR1A (0.42) PTGDR2EPHX2MTNR1AMTNR1BTBXA2R
SCHEMBL1900925 0.92 MTNR1A (0.42) PTGDR2EPHX2MTNR1AMTNR1BTBXA2R
SCHEMBL2492406 0.91 MTNR1A (0.50) PTGDR2MEN1KMT2APOLBMTNR1A
SCHEMBL1902813 0.91 MTNR1A (0.50) PTGDR2MEN1KMT2APOLBMTNR1A
SCHEMBL833094 0.90 POLB (0.42) PTGDR2MEN1KMT2APOLBMTNR1A
SCHEMBL1903879 0.90 PTGDR2 (0.56) PTGDR2SIGMAR1TBXA2RPTGDRTSHR
SCHEMBL1903995 0.89 PTGDR2 (0.47) PTGDR2MEN1KMT2APOLBMTNR1A
SCHEMBL1900985 0.89 PTGDR2 (0.47) PTGDR2MEN1KMT2APOLBMTNR1A

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