SCHEMBL1902116

SCHEMBL1902116

CCC(C(=O)O)n1c2c(c3cc(F)ccc31)C[C@@H](N(C)C(=O)CCc1ccccc1OC)CC2

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGDR2 Q9Y5Y4 18/20 0.46
HTR6 P50406 1/20 0.44

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
SCHEMBL1902118 1.00 MEN1 (0.47) MEN1KMT2APTGDR2HTR6
SCHEMBL2487579 0.92 PTGDR2 (0.48) PTGDR2HTR6
SCHEMBL1904643 0.92 PTGDR2 (0.48) PTGDR2HTR6
SCHEMBL1905596 0.90 PTGDR2 (0.42) MEN1KMT2APTGDR2HTR6
SCHEMBL1905595 0.90 PTGDR2 (0.42) MEN1KMT2APTGDR2HTR6
SCHEMBL1902073 0.90 PTGDR2 (0.42) MEN1KMT2APTGDR2HTR6
SCHEMBL1902071 0.90 PTGDR2 (0.42) MEN1KMT2APTGDR2HTR6
SCHEMBL1899571 0.90 PTGDR2 (0.44) MEN1KMT2APTGDR2HTR6
SCHEMBL1899574 0.90 PTGDR2 (0.44) MEN1KMT2APTGDR2HTR6
SCHEMBL1906230 0.89 PTGDR2 (0.49) PTGDR2HTR6

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