SCHEMBL832475

SCHEMBL832475

CC(C(=O)O)n1c2c(c3ccccc31)C[C@H](NC(=O)OC(C)(C)C)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
KCNA3 P22001 1/20 0.41
DRD2 P14416 2/20 0.39
USP14 P54578 1/20 0.39
EPHX2 P34913 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
PTGDR2 Q9Y5Y4 5/20 0.38
TBXA2R P21731 3/20 0.38
PTGDR Q13258 3/20 0.38
ABCB11 O95342 1/20 0.37
CYP2C9 P11712 1/20 0.37
DRD1 P21728 1/20 0.37
CCKAR P32238 1/20 0.37
HTR6 P50406 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL832476 1.00 KMT2A (0.41) KMT2AL3MBTL1KDM1AMAOBKCNA3
SCHEMBL833859 0.87 KMT2A (0.42) KMT2AL3MBTL1KDM1AMAOBKCNA3
SCHEMBL2489546 0.87 KMT2A (0.42) KMT2AL3MBTL1KDM1AMAOBKCNA3
SCHEMBL1900255 0.87 KMT2A (0.42) KMT2AL3MBTL1KDM1AMAOBKCNA3
SCHEMBL21754353 0.81 USP14 (0.42) KMT2AL3MBTL1KDM1AMAOBKCNA3
SCHEMBL833418 0.81 PTGDR2 (0.58) KMT2APTGDR2TBXA2RPTGDRABCB11
SCHEMBL833419 0.81 PTGDR2 (0.58) KMT2APTGDR2TBXA2RPTGDRABCB11
SCHEMBL13841442 0.78 PTGDR2 (0.48) KMT2AL3MBTL1KCNA3DRD2USP14
SCHEMBL13677409 0.78 PTGDR2 (0.48) KMT2AL3MBTL1KCNA3DRD2USP14
SCHEMBL7407022 0.76 HTR6 (0.57) PTGDR2TBXA2RPTGDRHTR6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143304-B2 (3-amino-1,2,3,4-tetrahydro-9 H-carbazol-9-yl)-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2012-03-27 US disclosed
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