SCHEMBL28601501

SCHEMBL28601501

CC(C)(C)OC(=O)NC1CCN(c2ccc3ccc(C(F)(F)F)cc3n2)C1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.57
PDE10A Q9Y233 4/20 0.57
MAP4K4 O95819 2/20 0.52
MCHR1 Q99705 4/20 0.51
SUV39H2 Q9H5I1 5/20 0.49
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
SCN9A Q15858 1/20 0.45
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45

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
SCHEMBL28601499 1.00 SYK (0.57) SYKPDE10AMAP4K4MCHR1SUV39H2
SCHEMBL1351080 0.84 SYK (0.63) SYKCKS1BSKP1SKP2
SCHEMBL1351078 0.84 SYK (0.63) SYKCKS1BSKP1SKP2
SCHEMBL22499904 0.83 PDE10A (0.58) SYKPDE10AMAP4K4MCHR1SUV39H2
SCHEMBL29689781 0.83 PDE10A (0.58) SYKPDE10AMAP4K4MCHR1SUV39H2
SCHEMBL1351791 0.83 SYK (0.64) SYKPDE10AMAP4K4SUV39H2CKS1B
SCHEMBL1351789 0.83 SYK (0.64) SYKPDE10AMAP4K4SUV39H2CKS1B
SCHEMBL5873574 0.82 MAP4K4 (0.61) SYKPDE10AMAP4K4MCHR1SUV39H2
SCHEMBL24166014 0.81 MAP4K4 (0.59) PDE10AMAP4K4SUV39H2CKS1BSKP1
SCHEMBL22499926 0.80 NOTUM (0.53) SYKPDE10AMAP4K4SUV39H2CKS1B

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