SCHEMBL30177286

SCHEMBL30177286

CCCCOC(=O)N1CCC2(CCC(I)C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ HRH2 P25021 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ GPR119 Q8TDV5 5/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP13 P45452 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
SCHEMBL30177254 0.88 SMN1; SMN2 (0.43) SMN1; SMN2LMNAPOLBOPRD1OPRK1
SCHEMBL30177282 0.85 LMNA (0.50) SMN1; SMN2LMNAPOLBOPRD1OPRK1
SCHEMBL30225407 0.81 SMN1; SMN2 (0.54) SMN1; SMN2LMNAPOLBOPRD1OPRK1
SCHEMBL5156110 0.80 LMNA (0.59) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL30177238 0.80 SMN1; SMN2 (0.52) SMN1; SMN2LMNAPOLBOPRD1OPRK1
SCHEMBL21384398 0.80 SMN1; SMN2 (0.52) SMN1; SMN2LMNAPOLBOPRD1OPRK1
SCHEMBL31693845 0.79 SMN1; SMN2 (0.44) SMN1; SMN2LMNAPOLBOPRD1OPRK1
SCHEMBL30013395 0.79 LMNA (0.48) SMN1; SMN2LMNAPOLBOPRD1OPRK1
SCHEMBL29387500 0.79 LMNA (0.49) SMN1; SMN2LMNAPOLBOPRD1OPRK1
SCHEMBL30002152 0.77 SMN1; SMN2 (0.50) SMN1; SMN2LMNAPOLBOPRD1OPRK1

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-4126852-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2023-02-08 — — EP disclosed
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