SCHEMBL2490412

SCHEMBL2490412

CCC(C(=O)O)n1c2c(c3cc(F)cc(Cl)c31)C[C@@H](NC(=O)CCc1cccc(OC)c1)CC2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CCR8 P51685 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
NPC1 O15118 1/20 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
SCHEMBL1904906 1.00 SIGMAR1 (0.39) SIGMAR1MTNR1AMTNR1BPTGDR2CYP1A2
SCHEMBL2494030 0.91 NPC1 (0.43) SIGMAR1MTNR1AMTNR1BPTGDR2NPC1
SCHEMBL1904355 0.91 NPC1 (0.43) SIGMAR1MTNR1AMTNR1BPTGDR2NPC1
SCHEMBL1905495 0.91 PTGDR2 (0.43) SIGMAR1MTNR1AMTNR1BPTGDR2NPC1
SCHEMBL1905496 0.91 PTGDR2 (0.43) SIGMAR1MTNR1AMTNR1BPTGDR2NPC1
SCHEMBL1904070 0.91 PTGDR2 (0.39) SIGMAR1MTNR1AMTNR1BPTGDR2NPC1
SCHEMBL1903518 0.91 PTGDR2 (0.39) MTNR1AMTNR1BPTGDR2NPC1
SCHEMBL1904069 0.91 PTGDR2 (0.39) SIGMAR1MTNR1AMTNR1BPTGDR2NPC1
SCHEMBL1903517 0.91 PTGDR2 (0.39) MTNR1AMTNR1BPTGDR2NPC1
SCHEMBL1902209 0.88 CYP1A2 (0.45) MTNR1AMTNR1BPTGDR2CYP1A2MAPT

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