SCHEMBL27922140

SCHEMBL27922140

Cc1ccc(CN2CCCC(NC(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CCR2 P41597 2/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ DRD2 P14416 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ JAK1 P23458 1/20 0.46

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
SCHEMBL27922135 1.00 OPRM1 (0.52) OPRM1OPRK1KMT2AL3MBTL1ROCK2
SCHEMBL4848198 0.91 KMT2A (0.60) KMT2AL3MBTL1ROCK2CCR2NPC1
SCHEMBL26502013 0.91 KMT2A (0.60) KMT2AL3MBTL1ROCK2CCR2NPC1
SCHEMBL5412662 0.90 KMT2A (0.64) OPRM1OPRK1KMT2AL3MBTL1ROCK2
SCHEMBL6128768 0.90 KMT2A (0.64) OPRM1OPRK1KMT2AL3MBTL1ROCK2
SCHEMBL554777 0.90 KMT2A (0.64) OPRM1OPRK1KMT2AL3MBTL1ROCK2
SCHEMBL13088854 0.89 KDM4E (0.53) KMT2AL3MBTL1ROCK2CCR2
SCHEMBL555720 0.86 KMT2A (0.62) KMT2AL3MBTL1CCR2DRD2DRD4
SCHEMBL28966343 0.86 DRD2 (0.50) KMT2AL3MBTL1ROCK2CA1CA2
SCHEMBL28966341 0.86 DRD2 (0.50) KMT2AL3MBTL1ROCK2CA1CA2

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
CN-103373953-A Preparation method for 3-aminopiperidine and optical isomer thereof SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD 2013-10-30 — — CN disclosed
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