SCHEMBL12654095

SCHEMBL12654095

Nc1cccc(N2CCC3(CCCC(N)C3)C2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ DOCK5 Q9H7D0 1/20 0.36
▸ LIPE Q05469 9/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.34
▸ HDAC11 Q96DB2 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ GRM2 Q14416 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
SCHEMBL1650416 0.89 DOCK5 (0.47) DOCK5METAP2
SCHEMBL1650417 0.89 DOCK5 (0.47) DOCK5METAP2
SCHEMBL15484518 0.89 DOCK5 (0.47) DOCK5METAP2
SCHEMBL1650721 0.89 DOCK5 (0.47) DOCK5METAP2
SCHEMBL1650705 0.88 DOCK5 (0.48) DOCK5LIPEHRH3METAP2
SCHEMBL12076016 0.88 HSD11B1 (0.42) USP30METAP2
SCHEMBL1650708 0.88 DOCK5 (0.48) DOCK5LIPEHRH3METAP2
SCHEMBL15416974 0.88 DOCK5 (0.48) DOCK5LIPEHRH3METAP2
SCHEMBL15416973 0.87 METAP2 (0.43) LIPEHRH3METAP2
SCHEMBL12076092 0.87 BACE1 (0.43) LIPE

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-2011053575-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-05-05 — — WO disclosed
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