SCHEMBL2172000

SCHEMBL2172000

COCC(OC(=O)c1cc(-c2ccc(C)cn2)cc(-c2cc(C)ccc2C#N)c1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.40
F11 P03951 1/20 0.36
P2RX3 P56373 6/20 0.36
P2RX2 Q9UBL9 6/20 0.36
S1PR1 P21453 1/20 0.33
WNT3A P56704 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
XDH P47989 3/20 0.33
SGK1 O00141 2/20 0.33
KLKB1 P03952 1/20 0.32

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
SCHEMBL2171685 0.87 S1PR3 (0.42) S1PR3P2RX3P2RX2S1PR1WNT3A
SCHEMBL2171034 0.80 P2RX3 (0.39) P2RX3P2RX2
SCHEMBL2171994 0.80 P2RX3 (0.46) S1PR3P2RX3P2RX2S1PR1
SCHEMBL2171650 0.80 TAS1R3 (0.45) S1PR3P2RX3P2RX2S1PR1
SCHEMBL2173127 0.78 XDH (0.43) S1PR3P2RX3P2RX2WNT3AXDH
SCHEMBL2171681 0.74 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL2170747 0.74 S1PR3 (0.40) S1PR3S1PR1WNT3A
SCHEMBL2172263 0.73 NSD2 (0.37) S1PR3P2RX3P2RX2
SCHEMBL2170462 0.73 S1PR3 (0.41) S1PR3P2RX3P2RX2S1PR1XDH
SCHEMBL3474932 0.70 XDH (0.40) P2RX3P2RX2WNT3AXDH

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-2346825-A2 MODULATORS OF P2X3 RECEPTOR ACTIVITY Evotec AG (DE) 2011-07-27 EP disclosed