SCHEMBL20801740

SCHEMBL20801740

CCC(C)CN1CCC(CC)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
KCNH2 Q12809 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
SLC18A3 Q16572 1/20 0.33
EPHX2 P34913 1/20 0.33
DRD4 P21917 1/20 0.33
KDM2B Q8NHM5 1/20 0.32
NAMPT P43490 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL1687229 0.83 PIK3CD (0.42) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL23696591 0.82 GRIN2D (0.38) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL25700789 0.82 HRH3 (0.37) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL23806393 0.82 HRH3 (0.37) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL11911619 0.81 RBP1 (0.38) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL25728347 0.81 GRIN2D (0.34) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL8326704 0.81 SIGMAR1 (0.47) SIGMAR1HRH3MEN1KMT2A
SCHEMBL13901259 0.81 SLC18A3 (0.34) KCNH2CACNA1ISLC18A3EPHX2MEN1
SCHEMBL13225814 0.80 GRIN2D (0.33) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL22856535 0.80 GRIN2D (0.33) GRIN2DGRIN3BADRA1DADRA1AADRA1B

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
EP-3453709-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 Takeda Pharmaceutical Company Limited (JP) 2019-03-13 EP disclosed