SCHEMBL28613367

SCHEMBL28613367

CC(C)(C)NC(=O)O[C@@H]1CCN(c2cc(Cl)ccc2C=O)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.41
▸ NOTUM Q6P988 2/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ CCNE1 P24864 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ LPL P06858 1/20 0.33
▸ LIPG Q9Y5X9 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
SCHEMBL15100929 0.77 PIM1 (0.52) PIM1PIM3PIM2
SCHEMBL2422222 0.77 PIM1 (0.52) PIM1PIM3PIM2
SCHEMBL2422225 0.77 PIM1 (0.52) PIM1PIM3PIM2
SCHEMBL28595539 0.76 LIPG (0.49) ACACBMAPTLPLLIPG
SCHEMBL28777524 0.75 CCNE1 (0.33) ACACBCCNE1CDK2
SCHEMBL15094219 0.73 SMPD3 (0.47) ACACBNOTUM
SCHEMBL19087943 0.73 MAPT (0.44) NOTUMMAPTL3MBTL1
SCHEMBL27862701 0.73 NPC1 (0.67) NPC1MAPT
SCHEMBL18064945 0.73 PIM2 (0.62) NOTUMPIM1PIM3PIM2MAPT
SCHEMBL18064765 0.73 PIM2 (0.62) NOTUMPIM1PIM3PIM2MAPT

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-107982266-B Carbamate compounds and methods of making and using the same H.隆德贝克有限公司 2021-07-30 — — CN disclosed
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