SCHEMBL8323950

SCHEMBL8323950

CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)c1cc2c(cc1Cl)c(N[C@@H](CCS(C)(=O)=O)c1nc3cc(Cl)ccc3[nH]1)nc[n+]2O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 8/20 0.35
SLC22A12 Q96S37 7/20 0.34
CNR1 P21554 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX12 P18054 1/20 0.31
APOBEC3A P31941 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
SLC22A6 Q4U2R8 2/20 0.30
LMNA P02545 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
SCHEMBL4163700 0.94 SLC22A12 (0.34) DDR1SLC22A12CNR1ALDH1A1SLC22A6
SCHEMBL3000283 0.91 SLC22A12 (0.36) DDR1SLC22A12CNR1ALDH1A1SLC22A6
SCHEMBL3000286 0.91 SLC22A12 (0.36) DDR1SLC22A12CNR1ALDH1A1SLC22A6
SCHEMBL2991101 0.83 ALDH1A1 (0.38) DDR1SLC22A12ALDH1A1MEN1ALOX12
SCHEMBL2991103 0.83 ALDH1A1 (0.38) DDR1SLC22A12ALDH1A1MEN1ALOX12
SCHEMBL4153302 0.83 SLC22A12 (0.34) DDR1SLC22A12CNR1ALDH1A1LMNA
SCHEMBL14177358 0.83 ALDH1A1 (0.41) DDR1SLC22A12ALDH1A1MEN1ALOX12
SCHEMBL14277099 0.83 ALDH1A1 (0.41) DDR1SLC22A12ALDH1A1MEN1ALOX12
SCHEMBL3001627 0.83 SLC22A12 (0.33) SLC22A12ALDH1A1MEN1ALOX12APOBEC3A
SCHEMBL6253016 0.83 SLC22A12 (0.33) SLC22A12ALDH1A1MEN1ALOX12APOBEC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 WO disclosed