SCHEMBL7399665

SCHEMBL7399665

CNC(=O)[C@H](CO)NCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNT1 Q5JUK3 1/20 0.49
PDCD1 Q15116 2/20 0.48
CD274 Q9NZQ7 2/20 0.48
FFAR1 O14842 2/20 0.47
MAPK14 Q16539 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
SRD5A2 P31213 1/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
LTA4H P09960 1/20 0.45
RECQL P46063 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
EPHX2 P34913 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL7397721 1.00 KCNT1 (0.49) KCNT1PDCD1CD274FFAR1MAPK14
SCHEMBL10013375 0.87 PSMB5 (0.46) PDCD1CD274MMEMMP1
SCHEMBL7398737 0.87 MMP9 (0.55) MMP9LTA4H
SCHEMBL7398741 0.87 MMP9 (0.55) MMP9LTA4H
SCHEMBL8935308 0.86 PDCD1 (0.44) PDCD1CD274MMP9MMP1
SCHEMBL8935301 0.86 PDCD1 (0.44) PDCD1CD274MMP9MMP1
SCHEMBL8935472 0.86 MMP9 (0.60) MMP9LTA4H
SCHEMBL8935277 0.86 MMP9 (0.60) MMP9LTA4H
SCHEMBL1071045 0.86 MMP9 (0.60) MMP9LTA4H
SCHEMBL7402132 0.85 FFAR1 (0.43) PDCD1CD274FFAR1FFAR4MMP2

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 5 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
EP-0426816-A1 N-PHENYLALKYL SUBSTITUTED $g(a)-AMINO CARBOXAMIDE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-05-15 EP disclosed
WO-1990014334-A1 N-PHENYLALKYL SUBSTITUTED α-AMINO CARBOXAMIDE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1990-11-29 WO disclosed