SCHEMBL1901494

SCHEMBL1901494

CCC(C(=O)O)n1c2c(c3cc(F)cc(Cl)c31)C[C@@H](NC(=O)COc1cccc(Cl)c1)CC2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
KCNH2 Q12809 2/20 0.38
KIF11 P52732 1/20 0.37
ADRB3 P13945 1/20 0.37

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
SCHEMBL1901492 1.00 MCHR1 (0.41) MCHR1PTGDR2KCNH2KIF11ADRB3
SCHEMBL1902209 0.93 CYP1A2 (0.45) MCHR1PTGDR2
SCHEMBL1902210 0.93 CYP1A2 (0.45) MCHR1PTGDR2
SCHEMBL1904022 0.89 PTGDR2 (0.48) MCHR1PTGDR2
SCHEMBL1904021 0.89 PTGDR2 (0.48) MCHR1PTGDR2
SCHEMBL1900071 0.88 RAB9A (0.44) PTGDR2
SCHEMBL2492234 0.88 RAB9A (0.44) PTGDR2
SCHEMBL1902531 0.87 HPGD (0.43) PTGDR2
SCHEMBL2491209 0.87 HPGD (0.43) PTGDR2
SCHEMBL1902893 0.87 MEN1 (0.43) MCHR1PTGDR2

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