SCHEMBL2494025

SCHEMBL2494025

CCC(C(=O)O)n1c2c(c3cc(F)ccc31)C[C@H](NC(=O)CCc1cccc(Cl)c1)CC2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.48
NPC1 O15118 1/20 0.43
SIGMAR1 Q99720 1/20 0.40
HTR6 P50406 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL1905907 1.00 PTGDR2 (0.48) PTGDR2NPC1SIGMAR1HTR6MTNR1A
SCHEMBL1905910 1.00 PTGDR2 (0.48) PTGDR2NPC1SIGMAR1HTR6MTNR1A
SCHEMBL1904524 0.94 PTGDR2 (0.51) PTGDR2SIGMAR1MTNR1AMTNR1B
SCHEMBL1904521 0.94 PTGDR2 (0.51) PTGDR2SIGMAR1MTNR1AMTNR1B
SCHEMBL2491410 0.93 PTGDR2 (0.50) PTGDR2SIGMAR1HTR6
SCHEMBL2491407 0.93 PTGDR2 (0.50) PTGDR2SIGMAR1HTR6
SCHEMBL1902244 0.92 PTGDR2 (0.54) PTGDR2MTNR1AMTNR1B
SCHEMBL1902243 0.92 PTGDR2 (0.54) PTGDR2MTNR1AMTNR1B
SCHEMBL1902948 0.92 PTGDR2 (0.49) PTGDR2SIGMAR1MTNR1AMTNR1B
SCHEMBL1902036 0.92 PTGDR2 (0.49) PTGDR2MTNR1AMTNR1B

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 1 patent. 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