SCHEMBL9114516

SCHEMBL9114516

CC(NC(N)c1ccc(Cc2ccccc2)cc1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.46
PLA2G2A P14555 1/20 0.46
LTA4H P09960 1/20 0.46
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
LMNA P02545 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
F7 P08709 1/20 0.41
EPHX1 P07099 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
XIAP P98170 1/20 0.39
MPO P05164 1/20 0.38

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
SCHEMBL7402142 0.87 ACACB (0.50) PLA2G10PLA2G2ALTA4HACACBACACA
SCHEMBL27296052 0.78 MAOB (0.50) SLC1A1
SCHEMBL27306471 0.78 SCN9A (0.51) ALDH1A1
SCHEMBL7399338 0.77 SCN9A (0.55) PLA2G10PLA2G2A
SCHEMBL7401755 0.77 SCN9A (0.55) PLA2G10PLA2G2A
SCHEMBL27328387 0.76 SCN9A (0.49) ALDH1A1
SCHEMBL9115104 0.76 MAOB (0.48) SLC1A1
SCHEMBL8935292 0.72 SCN9A (0.51) PLA2G10PLA2G2A
SCHEMBL8935302 0.72 SCN9A (0.51) PLA2G10PLA2G2A
SCHEMBL8935345 0.72 ACACB (0.50) PLA2G10PLA2G2ALTA4HACACBACACA

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-5449692-A Antiepileptic, anti-Parkinson, antidepressant, antispasmodic, neuroprotective, and hypnotic agents FARMITALIA CARLO ERBA S.R.L. (IT) 1995-09-12 US disclosed
EP-0648202-A1 SUBSTITUTED (ARYLALKYLAMINOBENZYL)AMINOPROPIONAMIDE DERIVATIVES, THEIR PREPARATION AND USE ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS. PHARMACIA SPA (IT) 1995-04-19 EP disclosed
WO-1994022809-A1 SUBSTITUTED (ARYLALKYLAMINOBENZYL)AMINOPROPIONAMIDE DERIVATIVES, THEIR PREPARATION AND USE ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1994-10-13 WO disclosed