SCHEMBL8778113

SCHEMBL8778113

O=C1NCCCCC1N=Cc1ccccc1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.36
PSEN2 P49810 5/20 0.36
APH1B Q8WW43 5/20 0.36
NCSTN Q92542 5/20 0.36
APH1A Q96BI3 5/20 0.36
PSENEN Q9NZ42 5/20 0.36
VEGFA P15692 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
HRH1 P35367 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL11839434 0.79 L3MBTL1 (0.56) KDM4EGAAHPGDPOLBALDH1A1
SCHEMBL8085823 0.78 POLB (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4966437 0.74 POLB (0.54) KDM4EGAAHPGDPOLBALDH1A1
SCHEMBL20848220 0.74 POLB (0.54) KDM4EGAAHPGDPOLBALDH1A1
SCHEMBL4966443 0.74 POLB (0.54) KDM4EGAAHPGDPOLBALDH1A1
SCHEMBL2729166 0.65 DDB1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11842287 0.64 KDM4E (0.61) KDM4EGAAHPGDPOLBALDH1A1
SCHEMBL10798008 0.64 HPGD (0.44) GAAHPGDALDH1A1
SCHEMBL20848252 0.64 POLB (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20848255 0.64 GAA (0.41) KDM4EGAAHPGDPOLBALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802923-A1 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-10-29 EP disclosed
WO-1995035311-A1 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1995-12-28 WO disclosed