SCHEMBL8323729

SCHEMBL8323729

C=C(NC(C)c1nc2cc(Cl)ccc2[nH]1)c1cc(Cl)c(C(=O)N2CCC[C@H]2CO)cc1/N=C\N

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRCP P42785 7/20 0.35
RAB9A P51151 1/20 0.34
FABP4 P15090 1/20 0.32
HSD11B1 P28845 1/20 0.32
USP1 O94782 1/20 0.31
ADORA2B P29275 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
PREP P48147 1/20 0.31
ROCK2 O75116 1/20 0.31

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
SCHEMBL8320315 0.96 PRCP (0.37) PRCPFABP4HSD11B1SLC22A12TDP1
SCHEMBL8324904 0.93 HRH3 (0.40) PRCP
SCHEMBL8318975 0.90 HPGD (0.39) PRCPRAB9AHSD11B1HTTTDP1
SCHEMBL8325059 0.89 LMNA (0.36) PRCPHTTTDP1HCRTR1HCRTR2
SCHEMBL8318144 0.88 KMT2A (0.35) PRCPRAB9AKDM4EHCRTR1HCRTR2
SCHEMBL8321663 0.88 HSD11B1 (0.32) PRCPHSD11B1
SCHEMBL8324593 0.87 HSD11B1 (0.32) PRCPHSD11B1
SCHEMBL8325063 0.86 HRH4 (0.38) PRCPRAB9ATDP1
SCHEMBL8324137 0.84 PRCP (0.33) PRCPTDP1
SCHEMBL8321623 0.84 GPBAR1 (0.40) PRCPKDM4EGAA

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