SCHEMBL5314192

SCHEMBL5314192

N#C[C@H]1CC2(CCN(C(=O)O)CC2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.47
HSD11B2 P80365 3/20 0.45
OPRD1 P41143 1/20 0.35
KCNH2 Q12809 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
MCHR2 Q969V1 3/20 0.34
ATM Q13315 1/20 0.33
RBP4 P02753 1/20 0.33

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
SCHEMBL5314195 1.00 HSD11B1 (0.47) HSD11B1HSD11B2OPRD1KCNH2SIGMAR1
SCHEMBL9395018 0.80 HSD11B1 (0.64) HSD11B1HSD11B2OPRD1KCNH2RBP4
SCHEMBL9089853 0.75 HSD11B1 (0.46) HSD11B1HSD11B2KCNH2MCHR2
SCHEMBL14530315 0.75 OPRD1 (0.35) OPRD1SIGMAR1
SCHEMBL3710895 0.73 HSD11B1 (0.44) HSD11B1HSD11B2OPRD1KCNH2SIGMAR1
SCHEMBL3709006 0.73 HSD11B1 (0.44) HSD11B1HSD11B2OPRD1KCNH2
SCHEMBL1223122 0.72 HSD11B1 (0.53) HSD11B1HSD11B2OPRD1KCNH2
SCHEMBL1223056 0.72 HSD11B1 (0.56) HSD11B1HSD11B2OPRD1KCNH2SIGMAR1
SCHEMBL1223765 0.72 HSD11B1 (0.56) HSD11B1HSD11B2OPRD1KCNH2
SCHEMBL10771537 0.70 HTR2C (0.36) SIGMAR1

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-2007057775-A1 SPIROPIPERIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-05-24 WO disclosed