SCHEMBL19668002

SCHEMBL19668002

C[C@@H](C1CCNCC1)N(C)C(=O)CC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
CPN1 P15169 1/20 0.36
CPB2 Q96IY4 1/20 0.36
OPRD1 P41143 1/20 0.33
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX1 P07099 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
SMYD3 Q9H7B4 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL9347148 0.76 CPN1 (0.38) ALOX5CPN1CPB2OPRD1EPHX1
SCHEMBL3941287 0.75 CPN1 (0.37) ALOX5CPN1CPB2OPRD1EPHX1
SCHEMBL6230141 0.69 CPN1 (0.42) ALOX5CPN1CPB2OPRD1EPHX1
SCHEMBL29097223 0.69 ALOX5 (0.44) ALOX5
Hydrochloric Acid SCHEMBL6229690 0.68 CPN1 (0.41) ALOX5CPN1CPB2OPRD1KMT2A
SCHEMBL18081016 0.67 SLC6A2 (0.35) ALOX5CPN1CPB2OPRD1SLC6A2
SCHEMBL528681 0.67 SLC6A2 (0.35) ALOX5CPN1CPB2OPRD1SLC6A2
SCHEMBL9732545 0.67 CPN1 (0.40) CPN1CPB2OPRD1EPHX1SMYD3
SCHEMBL27261240 0.67 OPRD1 (0.54) OPRD1SMYD3SLC6A2SLC6A4SLC6A3
SCHEMBL1938053 0.66 CPN1 (0.41) ALOX5CPN1CPB2OPRD1KDM4E

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-3464268-A1 NOVEL COMPOUNDS Chiesi Farmaceutici S.p.A. (IT) 2019-04-10 EP disclosed
WO-2017207432-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-12-07 WO disclosed