SCHEMBL8085823

SCHEMBL8085823

O=C1NCCCCC1N=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 3/20 0.37
THRB P10828 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ACHE P22303 2/20 0.35
BACE1 P56817 2/20 0.35
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
KMT2A Q03164 1/20 0.34
BCHE P06276 1/20 0.34
CCR2 P41597 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4966437 0.95 POLB (0.54) POLBALDH1A1HPGDMAPTGAA
SCHEMBL20848220 0.95 POLB (0.54) POLBALDH1A1HPGDMAPTGAA
SCHEMBL4966443 0.95 POLB (0.54) POLBALDH1A1HPGDMAPTGAA
SCHEMBL20848255 0.81 GAA (0.41) POLBALDH1A1HPGDMAPTGAA
SCHEMBL20848252 0.81 POLB (0.40) POLBALDH1A1GAAACHEBACE1
SCHEMBL11839434 0.80 L3MBTL1 (0.56) POLBALDH1A1HPGDMAPTGAA
SCHEMBL11390399 0.79 POLB (0.40) POLBHPGDMAPTGAAKDM4E
SCHEMBL11390397 0.79 POLB (0.40) POLBHPGDMAPTGAAKDM4E
SCHEMBL8778113 0.78 PSEN1 (0.36) POLBALDH1A1HPGDGAAKDM4E
SCHEMBL7091930 0.76 MAPT (0.43) ALDH1A1HPGDMAPTTHRBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58116468-A None JP disclosed
JP-58116469-A None JP disclosed
US-6034215-A 3-amino-2-oxo-1-piperidnercetic derivatives as enzyme inhibitors CORVAS INTERNATIONAL, INC. (US) 2000-03-07 US disclosed
US-5703208-A ANTICOAGULANTS CORVAS INTERNATIONAL, INC. (US) 1997-12-30 US disclosed
EP-0802923-A1 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-10-29 EP disclosed
WO-1995035311-A9 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES AS ENZYME INHIBITORS 1996-02-01 WO disclosed
WO-1995035311-A1 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1995-12-28 WO disclosed
JP-S58116468-A OPTICALLY ACTIVE ALPHA-MONOALKYLAMINO-BETA-CAPROLACTAM AND PREPARATION OF ALPHA-MONOALKYLAMINO-EPSILON-CAPRO-LACTAM TORAY IND INC 1983-07-11 JP disclosed
JP-S58116469-A ALPHA-SUBSTITUTED METHYLENEAMINO-EPSILON-CAPROLACTAM AND ITS PREPARATION TORAY IND INC 1983-07-11 JP disclosed