SCHEMBL15061315

SCHEMBL15061315

O=C(O)N1CCC2(CC1)c1ccccc1C[C@@H]2O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR2 Q969V1 3/20 0.46
SIGMAR1 Q99720 3/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
BACE1 P56817 1/20 0.38
RBP4 P02753 1/20 0.38
SLC18A3 Q16572 1/20 0.38
KDM1A O60341 1/20 0.38
HSD11B1 P28845 2/20 0.38

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
SCHEMBL10092817 0.81 MCHR2 (0.50) MCHR2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL381500 0.81 KDM1A (0.52) MCHR2KDM1A
SCHEMBL29993455 0.81 KDM1A (0.52) MCHR2KDM1A
SCHEMBL6968834 0.81 KDM1A (0.52) MCHR2KDM1A
SCHEMBL6970469 0.81 KDM1A (0.52) MCHR2KDM1A
SCHEMBL6959970 0.81 KDM1A (0.52) MCHR2KDM1A
SCHEMBL26116066 0.77 MCHR2 (0.48) MCHR2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL13510926 0.76 MEN1 (0.56)
SCHEMBL379939 0.76 SIGMAR1 (0.37) SIGMAR1HTR2AHTR2CHTR2BGRIN2D
SCHEMBL379938 0.76 SIGMAR1 (0.37) SIGMAR1HTR2AHTR2CHTR2BGRIN2D

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
US-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed