SCHEMBL8202589

SCHEMBL8202589

O[C@H](C#[N+]N(Cc1ccccc1)Cc1ccccc1)CCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.36
ERAP1 Q9NZ08 2/20 0.36
ERAP2 Q6P179 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.35
BCHE P06276 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACP3 P15309 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 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
SCHEMBL5962211 0.75 MMP12 (0.42) KMT2AMEN1ALDH1A1HPGDALOX5
SCHEMBL6367346 0.75 SMN1; SMN2 (0.41) KMT2AMEN1CYP2C19HPGDSLC6A2
SCHEMBL8030279 0.70 ADRA2B (0.40) KMT2AMEN1ALDH1A1HPGDSLC6A2
SCHEMBL27660875 0.70 DPP4 (0.47) ANPEPERAP1ERAP2KMT2AMEN1
SCHEMBL4323888 0.70 CTSC (0.44) ANPEPERAP1ERAP2ACP3SLC6A2
SCHEMBL817399 0.70 ANPEP (0.43) ANPEPERAP1ERAP2KMT2AACP3
SCHEMBL3997283 0.70 CTSC (0.44) ANPEPERAP1ERAP2ACP3SLC6A2
SCHEMBL817464 0.70 ANPEP (0.43) ANPEPERAP1ERAP2KMT2AACP3
SCHEMBL2163440 0.70 CTSC (0.44) ANPEPERAP1ERAP2ACP3SLC6A2
SCHEMBL3636524 0.68 SIGMAR1 (0.45) ANPEPERAP1ERAP2KMT2AMEN1

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-0970066-A1 AMINOEPOXIDES FROM AMINOALDEHYDES AND IN-SITU FORMED HALOMETHYL ORGANOMETALLIC REAGENT G.D. SEARLE & CO. (US) 2000-01-12 EP disclosed
WO-1998029401-A1 AMINOEPOXIDES FROM AMINOALDEHYDES AND IN-SITU FORMED HALOMETHYL ORGANOMETALLIC REAGENT G.D. SEARLE & CO. (US) 1998-07-09 WO disclosed