SCHEMBL8935310

SCHEMBL8935310

CN(Cc1ccc(OCc2ccccc2F)cc1)C(=O)C(N)CO

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.55
PARP15 Q460N3 2/20 0.55
PARP10 Q53GL7 2/20 0.55
PARP14 Q460N5 1/20 0.55
LPAR1 Q92633 3/20 0.54
LPAR5 Q9H1C0 3/20 0.54
SCN9A Q15858 1/20 0.54
PTPN1 P18031 1/20 0.53
SCN3A Q9NY46 4/20 0.51
KCNH2 Q12809 3/20 0.45
SLC1A5 Q15758 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
SCHEMBL8935286 0.86 MAOB (0.54) MAOBSLC1A5
SCHEMBL8935348 0.86 MAOB (0.58) MAOB
SCHEMBL8935251 0.81 MAOB (0.58) MAOBPARP10SCN9A
SCHEMBL8935232 0.79 FFAR1 (0.51)
SCHEMBL9132264 0.77 LPAR1 (0.51) MAOBPARP15PARP10PARP14LPAR1
SCHEMBL7391947 0.77 LPAR1 (0.51) MAOBPARP15PARP10PARP14LPAR1
SCHEMBL8935296 0.76 ALOX5 (0.60) MAOB
SCHEMBL8935376 0.76 MAOB (0.60) MAOBSLC1A5
SCHEMBL7396889 0.76 SCN9A (0.63) MAOBPARP15PARP10PARP14LPAR1
SCHEMBL8935406 0.76 SCN9A (0.63) MAOBPARP15PARP10PARP14LPAR1

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