SCHEMBL8935301

SCHEMBL8935301

CNC(=O)[C@H](CO)NCc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.44
CD274 Q9NZQ7 3/20 0.44
LMNA P02545 1/20 0.44
PSMB5 P28074 1/20 0.43
MMP8 P22894 2/20 0.42
MMP1 P03956 2/20 0.42
FCER2 P06734 1/20 0.42
TLR2 O60603 1/20 0.41
MMP9 P14780 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40

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
SCHEMBL8935308 1.00 PDCD1 (0.44) PDCD1CD274LMNAPSMB5MMP8
SCHEMBL10013375 0.95 PSMB5 (0.46) PDCD1CD274PSMB5MMP8MMP1
SCHEMBL9514815 0.93 FFAR1 (0.43) PDCD1CD274PSMB5MMP8MMP1
SCHEMBL7402132 0.93 FFAR1 (0.43) PDCD1CD274PSMB5MMP8MMP1
SCHEMBL7397778 0.90 FFAR1 (0.51)
SCHEMBL8935368 0.90 FFAR1 (0.51)
SCHEMBL7399665 0.86 KCNT1 (0.49) PDCD1CD274MMP1MMP9
SCHEMBL7402130 0.86 ALDH1A1 (0.44) PDCD1CD274LMNAPSMB5MMP8
SCHEMBL9514811 0.86 ALDH1A1 (0.44) PDCD1CD274LMNAPSMB5MMP8
SCHEMBL7397721 0.86 KCNT1 (0.49) PDCD1CD274MMP1MMP9

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 3 patents. 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
US-5391577-A Active on central nervous system; antiepileptic agents FARMITALIA CARLO ERBA S R L (IT) 1995-02-21 US disclosed
US-5236957-A Antiepileptic agents FARMITALIA CARLO ERBA SRL (IT) 1993-08-17 US disclosed