SCHEMBL28778447

SCHEMBL28778447

CCCCCCCCN(C)OC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.44
CES1 P23141 9/20 0.44
CES2 O00748 7/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
EPHX1 P07099 1/20 0.41
DNM1 Q05193 2/20 0.39
PLA2G6 O60733 1/20 0.39

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
SCHEMBL7024069 0.93 FAAH (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL11320198 0.77 DNM1 (0.44) FAAHCES1CES2DNM1
SCHEMBL11323157 0.77 DNM1 (0.44) FAAHCES1CES2DNM1
SCHEMBL30234581 0.77 DNM1 (0.44) FAAHCES1CES2DNM1
SCHEMBL11324407 0.77 DNM1 (0.44) FAAHCES1CES2DNM1
SCHEMBL4321071 0.77 DNM1 (0.44) FAAHCES1CES2DNM1
SCHEMBL2750539 0.77 DNM1 (0.42) CES1CES2DNM1
SCHEMBL4891467 0.76 DNM1 (0.49) DNM1
SCHEMBL6669138 0.76 DNM1 (0.43) FAAHCES1CES2DNM1
SCHEMBL3928482 0.76 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2

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-114621243-A Sulfonamide derivative and application thereof 上海拓界生物医药科技有限公司 2022-06-14 CN disclosed