SCHEMBL13580751

SCHEMBL13580751

CC(=O)N(Cc1cc(C)ccc1Oc1cccc(CC(=O)O)c1)[C@@H]1CCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.47
P2RX2 Q9UBL9 2/20 0.47
PTGDR2 Q9Y5Y4 8/20 0.40
GFRA3 O60609 2/20 0.36
RET P07949 1/20 0.36
GFRA2 O00451 1/20 0.36
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 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
SCHEMBL1944156 0.89 PTGDR2 (0.48) P2RX3P2RX2PTGDR2
SCHEMBL1010011 0.89 PTGDR2 (0.48) P2RX3P2RX2PTGDR2
SCHEMBL1942947 0.89 PTGDR2 (0.48) P2RX3P2RX2PTGDR2
SCHEMBL137268 0.84 PTGDR2 (0.49) PTGDR2
SCHEMBL137402 0.84 PTGDR2 (0.49) PTGDR2
SCHEMBL1009037 0.81 P2RX3 (0.41) P2RX3P2RX2PTGDR2CYP2D6
SCHEMBL1008659 0.81 PTGDR2 (0.50) P2RX3P2RX2PTGDR2
SCHEMBL1944800 0.81 P2RX3 (0.41) P2RX3P2RX2PTGDR2CYP2D6
SCHEMBL1943229 0.81 PTGDR2 (0.50) P2RX3P2RX2PTGDR2
SCHEMBL1942276 0.81 PTGDR2 (0.50) P2RX3P2RX2PTGDR2

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
WO-2009145989-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-12-03 WO disclosed