SCHEMBL1904069

SCHEMBL1904069

CCC(C(=O)O)n1c2c(c3cc(F)cc(Cl)c31)CC(NC(=O)CCc1cccc(O)c1)CC2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.39
SIGMAR1 Q99720 2/20 0.37
NPC1 O15118 1/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL1904070 1.00 PTGDR2 (0.39) PTGDR2SIGMAR1NPC1MTNR1AMTNR1B
SCHEMBL1904355 0.93 NPC1 (0.43) PTGDR2SIGMAR1NPC1MTNR1AMTNR1B
SCHEMBL2494030 0.93 NPC1 (0.43) PTGDR2SIGMAR1NPC1MTNR1AMTNR1B
SCHEMBL1905495 0.93 PTGDR2 (0.43) PTGDR2SIGMAR1NPC1MTNR1AMTNR1B
SCHEMBL1905496 0.93 PTGDR2 (0.43) PTGDR2SIGMAR1NPC1MTNR1AMTNR1B
SCHEMBL1903518 0.93 PTGDR2 (0.39) PTGDR2NPC1MTNR1AMTNR1B
SCHEMBL1903517 0.93 PTGDR2 (0.39) PTGDR2NPC1MTNR1AMTNR1B
SCHEMBL2490412 0.91 SIGMAR1 (0.39) PTGDR2SIGMAR1NPC1MTNR1AMTNR1B
SCHEMBL1904906 0.91 SIGMAR1 (0.39) PTGDR2SIGMAR1NPC1MTNR1AMTNR1B
SCHEMBL1902936 0.87 PTGDR2 (0.41) PTGDR2SIGMAR1NPC1MTNR1AMTNR1B

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