SCHEMBL8317184

SCHEMBL8317184

COc1cc2c3c(cccc3c1CNC(C)=O)CN(O)C2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.42
MTNR1B P49286 11/20 0.42
PTPN1 P18031 1/20 0.39
DPP8 Q6V1X1 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7709368 0.75 MAPT (0.56) MTNR1AMTNR1BPTPN1ALDH1A1MAPT
SCHEMBL7706874 0.70 ACHE (0.40) ALDH1A1MAPTMEN1CYP1A2POLB
SCHEMBL5723907 0.70 MTNR1A (0.56) MTNR1AMTNR1BPTPN1ALDH1A1
SCHEMBL14031174 0.66 PTPN1 (0.61) MTNR1AMTNR1BPTPN1CYP1A2
SCHEMBL23774243 0.65 ACACB (0.71)
SCHEMBL11857049 0.63 MAPT (0.45) MTNR1AMTNR1BPTPN1ALDH1A1MAPT
SCHEMBL6171639 0.62 ALDH1A1 (0.78) ALDH1A1MEN1POLBKMT2A
SCHEMBL1134101 0.61 KMT2A (0.56) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL7712137 0.61 KMT2A (0.44) ALDH1A1MAPTMEN1CYP1A2POLB
SCHEMBL660541 0.61 MMP13 (0.70) MTNR1AMTNR1BALDH1A1MEN1POLB

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-0939754-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-09-08 EP claimed
WO-1998019648-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-05-14 WO claimed