SCHEMBL14223167

SCHEMBL14223167

CCCC[C@@H](CCC)N(C)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.43
▸ CA1 P00915 4/20 0.43
▸ ZDHHC7 Q9NXF8 1/20 0.37
▸ CTSK P43235 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ DPP7 Q9UHL4 2/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ METAP1 P53582 1/20 0.33
▸ SLC15A1 P46059 1/20 0.33
▸ EPHX1 P07099 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL26343486 0.79 CNR1 (0.40) CA2CA1ZDHHC7CTSKMAPK1
SCHEMBL29186321 0.77 ZDHHC7 (0.41) CA2ZDHHC7CNR1
SCHEMBL18949076 0.73 CA2 (0.42) CA2CA1MAPK1
SCHEMBL30476795 0.72 CHRM1 (0.45) CA2CA1MAPK1
SCHEMBL12966169 0.72 HDAC7 (0.36) CA2CA1ZDHHC7ALDH1A1
SCHEMBL936329 0.72 CA2 (0.44) CA2ZDHHC7CNR1
SCHEMBL936709 0.72 CA2 (0.44) CA2ZDHHC7CNR1
SCHEMBL9929004 0.69 GPR84 (0.44) CA2ZDHHC7CNR1
SCHEMBL1257559 0.69 GPR84 (0.44) CA2ZDHHC7CNR1
SCHEMBL1258612 0.69 GPR84 (0.44) CA2ZDHHC7CNR1

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
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