SCHEMBL8935375

SCHEMBL8935375

CNC(=O)C(CC(C)C)NCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57
BCHE P06276 2/20 0.54
CTSS P25774 4/20 0.53
CTSK P43235 4/20 0.53
LTA4H P09960 1/20 0.53
CTSL P07711 2/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MMP1 P03956 2/20 0.48

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
SCHEMBL7403575 1.00 MMP9 (0.57) MMP9MMP8BCHECTSSCTSK
SCHEMBL1069240 0.88 MMP9 (0.69) MMP9MMP8BCHELTA4H
SCHEMBL1071045 0.88 MMP9 (0.60) MMP9MMP8BCHELTA4HNPC1
SCHEMBL8935277 0.88 MMP9 (0.60) MMP9MMP8BCHELTA4HNPC1
SCHEMBL3288556 0.88 MMP9 (0.69) MMP9MMP8BCHELTA4H
SCHEMBL3073641 0.88 MMP9 (0.60) MMP9MMP8BCHELTA4HNPC1
SCHEMBL8935472 0.88 MMP9 (0.60) MMP9MMP8BCHELTA4HNPC1
SCHEMBL7397940 0.85 BCHE (0.59) MMP9MMP8BCHELTA4HNPC1
SCHEMBL7395792 0.85 BCHE (0.59) MMP9MMP8BCHELTA4HNPC1
SCHEMBL7393821 0.85 BCHE (0.59) MMP9MMP8BCHELTA4HNPC1

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
EP-0400495-B1 N-phenylalkyl substituted alpha-amino carboxamide derivatives and process for their preparation. ERBA CARLO SPA (IT) 1993-11-03 EP disclosed
US-5236957-A Antiepileptic agents FARMITALIA CARLO ERBA SRL (IT) 1993-08-17 US disclosed
EP-0400495-A1 N-phenylalkyl substituted alfa-amino carboxamide derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1990-12-05 EP disclosed