SCHEMBL2225484

SCHEMBL2225484

Cc1cccc(C(=O)NC23CC4CC(CC(NC(=O)O)(C4)C2)C3)n1

nearest known ligand 0.93

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.55
FPR2 P25090 3/20 0.55
P2RX7 Q99572 1/20 0.47
NPC1 O15118 1/20 0.46
GBA1 P04062 1/20 0.46
FAAH O00519 2/20 0.45
CNR2 P34972 5/20 0.44
CNR1 P21554 2/20 0.44

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
SCHEMBL1880847 0.96 GRM5 (0.58) GRM5FPR2P2RX7NPC1GBA1
SCHEMBL15121190 0.93 GRM5 (0.53) GRM5FPR2P2RX7NPC1GBA1
SCHEMBL1580244 0.92 FAAH (0.58) GRM5FPR2FAAHCNR2CNR1
SCHEMBL1578607 0.90 GRM5 (0.53) GRM5FPR2P2RX7NPC1GBA1
SCHEMBL9914317 0.90 GRM5 (0.53) GRM5FPR2P2RX7NPC1GBA1
SCHEMBL1578200 0.89 GRM5 (0.55) GRM5FPR2P2RX7NPC1GBA1
SCHEMBL1581107 0.89 GRM5 (0.52) GRM5FPR2P2RX7NPC1GBA1
SCHEMBL1578678 0.89 GRM5 (0.52) GRM5FPR2P2RX7NPC1GBA1
SCHEMBL1578381 0.89 GRM5 (0.52) GRM5FPR2P2RX7NPC1GBA1
SCHEMBL2269766 0.89 GRM5 (0.51) GRM5FPR2P2RX7NPC1GBA1

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 claimed