SCHEMBL19984600

SCHEMBL19984600

CCC(C)c1cc(OC)c(C(C)C)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
P2RX3 P56373 3/20 0.39
P2RX2 Q9UBL9 3/20 0.39

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
SCHEMBL19308587 0.87 GAA (0.47) POLBGAAGFERP2RX3P2RX2
SCHEMBL13816285 0.85 GAA (0.53) POLBGAAGFERP2RX3P2RX2
SCHEMBL20373370 0.79 POLB (0.45) POLBGAAGFER
SCHEMBL13748156 0.77 P2RX3 (0.55) POLBGAAGFERP2RX3P2RX2
SCHEMBL4064857 0.77 P2RX3 (0.55) POLBGAAGFERP2RX3P2RX2
SCHEMBL2953510 0.77 GAA (0.59) POLBGAAGFERP2RX3P2RX2
SCHEMBL7281047 0.75 CYP1A2 (0.46) POLBGAAGFERP2RX3P2RX2
SCHEMBL16736852 0.75 TSHR (0.46) GAA
SCHEMBL14036622 0.74 POLB (0.65) POLBGAAGFERP2RX3P2RX2
SCHEMBL10179674 0.74 HPGD (0.41) GAA

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-2928889-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2018-03-21 EP disclosed