SCHEMBL4780968

SCHEMBL4780968

O=C(O)N[C@H]1CCN(c2ccc(I)cn2)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 16/20 0.49
CA1 P00915 16/20 0.49
CA2 P00918 16/20 0.49
CA4 P22748 16/20 0.49
CA7 P43166 16/20 0.49
CA9 Q16790 16/20 0.49
TRPV1 Q8NER1 4/20 0.45
KMT2A Q03164 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
KCNH2 Q12809 1/20 0.45
MCHR1 Q99705 1/20 0.45

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
SCHEMBL4909397 0.93 CA12 (0.47) CA12CA1CA2CA4CA7
SCHEMBL14196277 0.86 PDE10A (0.48) CA12CA1CA2CA4CA7
SCHEMBL1749349 0.85 CA12 (0.53) CA12CA1CA2CA4CA7
SCHEMBL4885872 0.85 HRH4 (0.49) CA12CA1CA2CA4CA7
SCHEMBL997974 0.84 TRPV1 (0.50) CA12CA1CA2CA4CA7
SCHEMBL15206576 0.84 TRPV1 (0.50) CA12CA1CA2CA4CA7
SCHEMBL15205294 0.84 TRPV1 (0.50) CA12CA1CA2CA4CA7
SCHEMBL22826263 0.82 SYK (0.53)
SCHEMBL14196275 0.82 SYK (0.53)
SCHEMBL29517976 0.82 SYK (0.53)

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-2008041090-A1 MALANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONIST PYRIDINONES PFIZER LIMITED (GB) 2008-04-10 WO disclosed