SCHEMBL8320315

SCHEMBL8320315

C=C(NC(C)c1nc2cc(Cl)ccc2[nH]1)c1cc(Cl)c(C(=O)N2CCCC2CN)cc1/N=C\N

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.37
FABP4 P15090 1/20 0.32
HSD11B1 P28845 1/20 0.32
SLC22A12 Q96S37 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
HRH3 Q9Y5N1 1/20 0.31
LMNA P02545 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
SCHEMBL8323729 0.96 PRCP (0.35) PRCPFABP4HSD11B1SLC22A12TDP1
SCHEMBL8324904 0.93 HRH3 (0.40) PRCPHRH3
SCHEMBL8318975 0.90 HPGD (0.39) PRCPHSD11B1TDP1HCRTR1HCRTR2
SCHEMBL8325059 0.89 LMNA (0.36) PRCPTDP1HCRTR1HCRTR2LMNA
SCHEMBL8318144 0.88 KMT2A (0.35) PRCPHCRTR1HCRTR2LMNA
SCHEMBL8321663 0.88 HSD11B1 (0.32) PRCPHSD11B1
SCHEMBL8324593 0.87 HSD11B1 (0.32) PRCPHSD11B1
SCHEMBL8325063 0.86 HRH4 (0.38) PRCPTDP1HRH3
SCHEMBL8324137 0.84 PRCP (0.33) PRCPTDP1HRH3
SCHEMBL8321623 0.84 GPBAR1 (0.40) PRCPLMNA

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