SCHEMBL8032628

SCHEMBL8032628

OCCNCCCCCCNCc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.57
CHRM2 P08172 4/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
DPP7 Q9UHL4 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
MLYCD O95822 1/20 0.45
MAOA P21397 1/20 0.45
ROCK1 Q13464 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
PLA2G1B P04054 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44

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
SCHEMBL7981773 0.93 SCN8A (0.59) SCN8ACHRM2MEN1KMT2AKDM4E
SCHEMBL4242842 0.93 SCN8A (0.57) SCN8AMEN1KMT2AKDM4EDPP7
SCHEMBL4238709 0.82 SCN8A (0.64) SCN8ACHRM2MEN1KMT2AKDM4E
SCHEMBL8609568 0.81 SCN8A (0.56) SCN8ACHRM2MEN1KMT2AKDM4E
SCHEMBL3508827 0.81 SIGMAR1 (0.63) SCN8AMEN1KMT2AKDM4ETDP1
SCHEMBL10873718 0.81 SCN8A (0.61) SCN8ACHRM2MEN1KMT2AKDM4E
SCHEMBL4235847 0.81 SCN8A (0.65) SCN8AMEN1KMT2AKDM4EDPP7
SCHEMBL7249965 0.80 TAAR1 (0.62) SCN8AMEN1KMT2AKDM4EDPP7
SCHEMBL4239980 0.79 DPP7 (0.59) SCN8AMEN1KMT2AKDM4EDPP7
SCHEMBL3355237 0.78 MEN1 (0.53) SCN8AMEN1KMT2AKDM4EDPP7

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
EP-0797579-B1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON SPA (IT) 2000-03-15 EP disclosed