SCHEMBL2280375

SCHEMBL2280375

O=CNC12CC3CC(C1)CC(NC(=O)c1ccccn1)(C3)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.52
RAB9A P51151 4/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
AGTR1 P30556 1/20 0.50
OPRK1 P41145 1/20 0.50
RECQL P46063 1/20 0.50
FPR2 P25090 1/20 0.47
PABPC1 P11940 1/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX2 P34913 3/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 3/20 0.44
EPHX1 P07099 2/20 0.44
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL1578149 0.91 GRM5 (0.58) GRM5RAB9AKDM4EMAPTAGTR1
SCHEMBL1579128 0.86 GRM5 (0.54) GRM5RAB9AKDM4EMAPTAGTR1
SCHEMBL1578303 0.85 FAAH (0.62) GRM5RAB9AKDM4EMAPTAGTR1
SCHEMBL1578460 0.84 GRM5 (0.54) GRM5RAB9AKDM4EMAPTAGTR1
SCHEMBL1578601 0.83 GRM5 (0.54) GRM5RAB9AKDM4EMAPTAGTR1
SCHEMBL1578628 0.83 GRM5 (0.71) GRM5RAB9AKDM4EMAPTAGTR1
SCHEMBL1578956 0.83 GRM5 (0.52) GRM5RAB9AKDM4EMAPTAGTR1
SCHEMBL2638308 0.83 PABPC1 (0.65) RAB9AKDM4EMAPTAGTR1OPRK1
SCHEMBL9914297 0.83 PBK (0.55) GRM5RAB9AKDM4EMAPTAGTR1
SCHEMBL1578147 0.83 PBK (0.55) GRM5RAB9AKDM4EMAPTAGTR1

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