SCHEMBL28918756

SCHEMBL28918756

CC(C)(C)OC(=O)NC1CCN(c2ccnc(OCC(F)(F)F)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.49
ACACB O00763 7/20 0.47
SUV39H2 Q9H5I1 7/20 0.46
PDE10A Q9Y233 1/20 0.45
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43

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
SCHEMBL28918754 1.00 SYK (0.49) SYKACACBSUV39H2PDE10AITGB2
SCHEMBL22499976 0.87 SYK (0.51) SYKACACBSUV39H2PDE10AITGB2
SCHEMBL28605619 0.83 SYK (0.53) SYKSUV39H2PDE10AITGB2ICAM1
SCHEMBL28605622 0.83 SYK (0.53) SYKSUV39H2PDE10AITGB2ICAM1
SCHEMBL23174126 0.83 SUV39H2 (0.49) SYKSUV39H2PDE10ACKS1BSKP1
SCHEMBL23173654 0.83 SUV39H2 (0.49) SYKSUV39H2PDE10ACKS1BSKP1
SCHEMBL31536320 0.83 SUV39H2 (0.49) SYKSUV39H2PDE10ACKS1BSKP1
SCHEMBL16691339 0.81 SUV39H2 (0.51) SYKSUV39H2PDE10ACKS1BSKP1
SCHEMBL2271310 0.81 CKS1B (0.49) SYKACACBSUV39H2PDE10ACKS1B
SCHEMBL28918751 0.80 ACACB (0.53) ACACB

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-113164461-A Heterocyclic derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2021-07-23 CN disclosed