SCHEMBL20159548

SCHEMBL20159548

CN1CCC(C(=O)N2CCC3(CN(C)C3)C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.49
HTT P42858 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
LMNA P02545 2/20 0.42
ITGB3 P05106 5/20 0.40
ITGA2B P08514 5/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.38
HSD11B1 P28845 1/20 0.38
VNN1 O95497 2/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.36
CNR2 P34972 1/20 0.35

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
SCHEMBL16730387 0.93 GRM5 (0.51) GRM5HTTHRH3LMNAITGB3
SCHEMBL25074216 0.92 HTT (0.49) GRM5HTTHRH3LMNAITGB3
SCHEMBL21569675 0.86 GRM5 (0.43) GRM5HTTHRH3LMNAITGB3
SCHEMBL25571575 0.86 GRM5 (0.47) GRM5HTTHRH3LMNAITGB3
SCHEMBL24747258 0.86 GRM5 (0.56) GRM5HTTHRH3LMNAITGB3
SCHEMBL20159545 0.86 GRM5 (0.45) GRM5HTTHRH3LMNAITGB3
SCHEMBL18713240 0.81 HTT (0.51) GRM5HTTHRH3LMNAHSD11B1
SCHEMBL15417790 0.79 HTT (0.46) GRM5HTTLMNAITGB3ITGA2B
SCHEMBL19158899 0.78 GRM5 (0.62) GRM5HTTHRH3ITGB3ITGA2B
SCHEMBL26159927 0.78 GRM5 (0.39) GRM5HTTHRH3LMNAHSD11B1

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-2018089695-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE DYNAVAX TECHNOLOGIES CORPORATION (US) 2018-05-17 WO disclosed