SCHEMBL8935368

SCHEMBL8935368

CNC(=O)[C@H](CO)NCc1ccc(NCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.51
FFAR4 Q5NUL3 2/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
GFER P55789 1/20 0.46
HIF1A Q16665 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 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
SCHEMBL7397778 1.00 FFAR1 (0.51) FFAR1FFAR4CA1CA2MEN1
SCHEMBL10013375 0.91 PSMB5 (0.46) CA1CA2KMT2A
SCHEMBL8935301 0.90 PDCD1 (0.44)
SCHEMBL8935308 0.90 PDCD1 (0.44)
SCHEMBL9514815 0.89 FFAR1 (0.43) FFAR1FFAR4ALDH1A1
SCHEMBL7402132 0.89 FFAR1 (0.43) FFAR1FFAR4ALDH1A1
SCHEMBL9514811 0.82 ALDH1A1 (0.44) MEN1KMT2AHTTMAPK1ALDH1A1
SCHEMBL7399665 0.82 KCNT1 (0.49) FFAR1FFAR4PPARGPPARA
SCHEMBL7402130 0.82 ALDH1A1 (0.44) MEN1KMT2AHTTMAPK1ALDH1A1
SCHEMBL7397721 0.82 KCNT1 (0.49) FFAR1FFAR4PPARGPPARA

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