SCHEMBL28650686

SCHEMBL28650686

COC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
FPR1 P21462 1/20 0.50
FPR2 P25090 1/20 0.50
OPRM1 P35372 3/20 0.48
OPRL1 P41146 2/20 0.48
CCR2 P41597 2/20 0.46
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
VNN1 O95497 1/20 0.45
LMNA P02545 1/20 0.44
FAAH O00519 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SCN9A Q15858 1/20 0.42
KDM1A O60341 2/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL22470131 0.83 KCNN4 (0.45) HDAC3HDAC1HDAC2HDAC6FPR1
SCHEMBL23654370 0.83 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6FPR1
SCHEMBL31658190 0.82 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6FPR1
SCHEMBL5168073 0.80 CCR2 (0.46) HDAC3HDAC1HDAC2HDAC6FPR1
SCHEMBL25310148 0.79 SCN9A (0.53) HDAC3HDAC1HDAC2HDAC6OPRM1
SCHEMBL22470493 0.79 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6FPR1
SCHEMBL28647793 0.78 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC6OPRM1
SCHEMBL28658384 0.78 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC6OPRM1
SCHEMBL26051721 0.77 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6FPR1
SCHEMBL27853653 0.77 OPRM1 (0.49) HDAC3HDAC1HDAC2HDAC6OPRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113631538-A Novel potassium channel inhibitors 萨尼奥纳有限责任公司 2021-11-09 CN claimed
CN-113631538-A Novel potassium channel inhibitors 萨尼奥纳有限责任公司 2021-11-09 CN disclosed