SCHEMBL16835752

SCHEMBL16835752

OC(O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.69
MC4R P32245 1/20 0.63
KDM4E B2RXH2 2/20 0.62
ATM Q13315 1/20 0.61
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 2/20 0.56
GAA P10253 1/20 0.56
DRD4 P21917 1/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PHGDH O43175 1/20 0.54
MGLL Q99685 1/20 0.54
IGF1R P08069 1/20 0.54

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
SCHEMBL27360918 0.85 SIGMAR1 (0.64) SIGMAR1MC4RKDM4EATMMEN1
SCHEMBL25732897 0.84 KDM4E (0.66) SIGMAR1MC4RKDM4EATMMEN1
SCHEMBL576868 0.83 SIGMAR1 (1.00) SIGMAR1MC4RKMT2ALMNADRD4
SCHEMBL1041303 0.83 SIGMAR1 (1.00) SIGMAR1MC4RKMT2ALMNADRD4
SCHEMBL2489199 0.83 SIGMAR1 (1.00) SIGMAR1MC4RKMT2ALMNADRD4
SCHEMBL8188324 0.83 SIGMAR1 (1.00) SIGMAR1MC4RKMT2ALMNADRD4
SCHEMBL1415730 0.83 SIGMAR1 (1.00) SIGMAR1MC4RKMT2ALMNADRD4
SCHEMBL242970 0.83 SIGMAR1 (1.00) SIGMAR1MC4RKMT2ALMNADRD4
SCHEMBL3319719 0.81 SIGMAR1 (0.64) SIGMAR1MC4RKDM4EATMMEN1
Methyl Alcohol SCHEMBL27657573 0.81 SIGMAR1 (0.86) SIGMAR1MC4RKDM4ELMNADRD4

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-2015092788-A1 COMPOSITIONS COMPRISING LIPOPHILIC DIESTERS OF CHELATING AGENTS NON-COVALENTLY ASSOCIATED WITH ORGANIC AMINES D-PHARM LTD. (IL) 2015-06-25 WO disclosed