SCHEMBL8935443

SCHEMBL8935443

CC(N)(Cc1ccc(OCc2ccccc2F)cc1)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.60
PARP15 Q460N3 2/20 0.60
PARP10 Q53GL7 2/20 0.60
PARP14 Q460N5 1/20 0.60
SCN3A Q9NY46 7/20 0.58
SCN9A Q15858 2/20 0.58
LPAR1 Q92633 2/20 0.49
LPAR5 Q9H1C0 2/20 0.49
KCNH2 Q12809 5/20 0.48
SCN1A P35498 1/20 0.48
SCN4A P35499 1/20 0.48
SCN7A Q01118 1/20 0.48
SCN5A Q14524 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN8A Q9UQD0 1/20 0.48
SCN10A Q9Y5Y9 1/20 0.48
PTPN1 P18031 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL8935285 0.85 MAOB (0.56) MAOBCYP1A2CYP2C19
SCHEMBL27309675 0.83 PARP10 (0.57) MAOBPARP10CYP1A2CYP2C19
SCHEMBL28500733 0.82 MAOB (0.61) MAOBPARP10KCNH2
Hydrochloric Acid SCHEMBL27353104 0.82 PARP10 (0.56) MAOBPARP10
SCHEMBL27311683 0.81 PPARG (0.53) MAOBPARP10
SCHEMBL5613571 0.81 MAOB (0.64) MAOBPARP15PARP10PARP14SCN3A
SCHEMBL920177 0.81 SCN3A (0.65) MAOBPARP15PARP10PARP14SCN3A
SCHEMBL28510240 0.80 MRGPRX4 (0.47) PTPN1
SCHEMBL8935241 0.79 MAOB (0.63) MAOBPARP10SCN9A
SCHEMBL28187832 0.79 MAOB (0.50) MAOBPARP15PARP10

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
US-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed