SCHEMBL12517655

SCHEMBL12517655

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 5/20 0.44
▸ P2RX7 Q99572 1/20 0.41
▸ HSD11B1 P28845 5/20 0.39
▸ CDK2 P24941 5/20 0.39
▸ CDK5 Q00535 5/20 0.39
▸ CDK5R1 Q15078 5/20 0.39
▸ CCNA2 P20248 4/20 0.39
▸ F2R P25116 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ SORT1 Q99523 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ GBA1 P04062 1/20 0.37

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
SCHEMBL12517295 0.85 HSD11B1 (0.53) GRM5HSD11B1
SCHEMBL12516075 0.84 GRM5 (0.46) GRM5P2RX7HSD11B1CDK2CDK5
SCHEMBL12516088 0.83 GRM5 (0.44) GRM5P2RX7HSD11B1
SCHEMBL12516086 0.82 GRM5 (0.46) GRM5P2RX7HSD11B1CDK2CDK5
SCHEMBL12517184 0.79 GRM5 (0.44) GRM5P2RX7HSD11B1CDK2CDK5
SCHEMBL12517270 0.79 GRM5 (0.41) GRM5P2RX7HSD11B1CDK2CDK5
SCHEMBL12516390 0.79 GRM5 (0.41) GRM5P2RX7HSD11B1CDK2CDK5
SCHEMBL12516090 0.78 GRM5 (0.41) GRM5P2RX7HSD11B1CDK2CDK5
SCHEMBL12517187 0.78 GRM5 (0.45) GRM5P2RX7HSD11B1CDK2CDK5
SCHEMBL12516399 0.78 HDAC6 (0.41) GRM5P2RX7HSD11B1CDK2CDK5

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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