SCHEMBL20644753

SCHEMBL20644753

COc1ccc(CN(C(=O)COC(C)(C)C)C2(C=O)CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.40
▸ MMP1 P03956 2/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ STS P08842 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ SLC2A1 P11166 2/20 0.38
▸ BACE1 P56817 2/20 0.38
▸ CTSD P07339 1/20 0.38
▸ CTSE P14091 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ BMP1 P13497 1/20 0.37

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
SCHEMBL20137495 0.75 SMN1; SMN2 (0.49) LMNAMAPTSMN1; SMN2ALDH1A1GPR119
SCHEMBL4634513 0.73 JAK2 (0.50) SMN1; SMN2GPR119STS
SCHEMBL22911797 0.72 LMNA (0.43) LMNAMAPTSMN1; SMN2ALDH1A1GPR119
SCHEMBL18748005 0.72 LMNA (0.45) LMNAMAPTSMN1; SMN2ALDH1A1GPR119
SCHEMBL18669630 0.72 STS (0.47) LMNAMAPTSMN1; SMN2ALDH1A1GPR119
SCHEMBL17113489 0.72 LMNA (0.44) LMNAMAPTSMN1; SMN2ALDH1A1GPR119
SCHEMBL6159582 0.71 LMNA (0.49) LMNAMAPTSMN1; SMN2ALDH1A1GPR119
SCHEMBL23986656 0.71 ALDH1A1 (0.66) LMNAMAPTALDH1A1HTTMEN1
SCHEMBL24097945 0.70 ALDH1A1 (0.50) LMNAMAPTSMN1; SMN2ALDH1A1GPR119
SCHEMBL12493302 0.70 MAPT (0.55) LMNAMAPTSMN1; SMN2ALDH1A1GPR119

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-3122739-B1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2019-01-16 — — EP disclosed
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