SCHEMBL1903517

SCHEMBL1903517

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

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.39
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 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
SCHEMBL1903518 1.00 PTGDR2 (0.39) PTGDR2NPC1LMNAMTNR1AMTNR1B
SCHEMBL1904355 0.93 NPC1 (0.43) PTGDR2NPC1MTNR1AMTNR1B
SCHEMBL2494030 0.93 NPC1 (0.43) PTGDR2NPC1MTNR1AMTNR1B
SCHEMBL1905496 0.93 PTGDR2 (0.43) PTGDR2NPC1MTNR1AMTNR1B
SCHEMBL1905495 0.93 PTGDR2 (0.43) PTGDR2NPC1MTNR1AMTNR1B
SCHEMBL1904069 0.93 PTGDR2 (0.39) PTGDR2NPC1MTNR1AMTNR1B
SCHEMBL1904070 0.93 PTGDR2 (0.39) PTGDR2NPC1MTNR1AMTNR1B
SCHEMBL2490412 0.91 SIGMAR1 (0.39) PTGDR2NPC1MTNR1AMTNR1B
SCHEMBL1904906 0.91 SIGMAR1 (0.39) PTGDR2NPC1MTNR1AMTNR1B
SCHEMBL1901537 0.87 PTGDR2 (0.41) PTGDR2NPC1MTNR1AMTNR1B

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