SCHEMBL12516088

SCHEMBL12516088

Cc1cccc(C(=O)NC2CC3CC4CC(C(N)=O)(C3)CC4C2)n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.44
▸ P2RX7 Q99572 1/20 0.44
▸ HSD11B1 P28845 17/20 0.43
▸ HSD11B2 P80365 1/20 0.42

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
SCHEMBL14157705 0.89 HSD11B1 (0.52) HSD11B1HSD11B2
SCHEMBL15706762 0.89 HSD11B1 (0.52) HSD11B1HSD11B2
SCHEMBL12516086 0.88 GRM5 (0.46) GRM5P2RX7HSD11B1
SCHEMBL12516075 0.87 GRM5 (0.46) GRM5P2RX7HSD11B1
SCHEMBL12517184 0.85 GRM5 (0.44) GRM5P2RX7HSD11B1
SCHEMBL12517295 0.85 HSD11B1 (0.53) GRM5HSD11B1
SCHEMBL12516090 0.84 GRM5 (0.41) GRM5P2RX7HSD11B1HSD11B2
SCHEMBL12517655 0.83 GRM5 (0.44) GRM5P2RX7HSD11B1
SCHEMBL12517183 0.82 P2RX7 (0.44) GRM5P2RX7
SCHEMBL12517270 0.79 GRM5 (0.41) GRM5P2RX7HSD11B1

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-2011087758-A1 ADAMANTYL AMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-07-21 — — WO disclosed
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