SCHEMBL5227058

SCHEMBL5227058

[CH2]CNCCn1nc(CC)c(Oc2cc(Cl)cc(Cl)c2)c1CC

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
KCNH2 Q12809 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL5227544 0.87 MAPT (0.36) MAPTKCNH2PTGDR2
SCHEMBL5229156 0.86 P2RX7 (0.36) MAPTKCNH2PTGDR2
SCHEMBL5226744 0.83 MAPT (0.37) MAPTKCNH2PTGDR2
SCHEMBL509197 0.82 KCNH2 (0.37) MAPTKCNH2PTGDR2
SCHEMBL509302 0.82 PTGDR2 (0.38) MAPTKCNH2PTGDR2
SCHEMBL509176 0.81 KCNH2 (0.39) MAPTKCNH2PTGDR2
SCHEMBL5229824 0.80 MAPT (0.39) MAPTKCNH2PTGDR2
SCHEMBL5229464 0.79 NPSR1 (0.38) MAPT
SCHEMBL509505 0.78 MAPT (0.37) MAPTKCNH2PTGDR2
SCHEMBL509737 0.78 RAB9A (0.37) MAPTKCNH2PTGDR2

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-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed