SCHEMBL1009732

SCHEMBL1009732

COC(=O)Cc1cccc(Oc2ccc(Br)cc2C(N)[C@H]2CCc3ccccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFRA2 O00451 1/20 0.39
GFRA3 O60609 1/20 0.39
SLC7A5 Q01650 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CCR8 P51685 2/20 0.36
CTSD P07339 4/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
POLB P06746 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
P2RX3 P56373 2/20 0.34
P2RX2 Q9UBL9 2/20 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
SCHEMBL1011187 0.88 SMYD3 (0.40) GFRA2GFRA3SLC7A5POLB
SCHEMBL1944769 0.88 SMYD3 (0.40) GFRA2GFRA3SLC7A5POLB
SCHEMBL1943686 0.88 SMYD3 (0.40) GFRA2GFRA3SLC7A5POLB
SCHEMBL1083605 0.79 KDM4E (0.44) GFRA2GFRA3HCRTR1HCRTR2CTSD
SCHEMBL1083604 0.79 KDM4E (0.44) GFRA2GFRA3HCRTR1HCRTR2CTSD
SCHEMBL24373809 0.77 SLC7A5 (0.42) SLC7A5HDAC8POLBPTGDR2
SCHEMBL1943183 0.74 P2RX3 (0.42) GFRA2GFRA3PTGDR2P2RX3P2RX2
SCHEMBL1943185 0.74 P2RX3 (0.42) GFRA2GFRA3PTGDR2P2RX3P2RX2
SCHEMBL1942311 0.72 SMYD3 (0.40) SLC7A5POLB
SCHEMBL1644213 0.71 MMP9 (0.44)

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-2268611-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-01-05 EP disclosed
WO-2009145989-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-12-03 WO disclosed