SCHEMBL8321663

SCHEMBL8321663

C=C(NC(C)c1nc2cc(Cl)ccc2[nH]1)c1cc(Cl)c(C(=O)N2CCCCC2CN(C)CCCC)cc1/N=C\N

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PRCP P42785 2/20 0.32
PYGL P06737 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
SCHEMBL8324593 0.94 HSD11B1 (0.32) HSD11B1PRCP
SCHEMBL8320315 0.88 PRCP (0.37) HSD11B1PRCP
SCHEMBL8323729 0.88 PRCP (0.35) HSD11B1PRCP
SCHEMBL8324904 0.86 HRH3 (0.40) PRCP
SCHEMBL8318975 0.86 HPGD (0.39) HSD11B1ALDH1A1PRCP
SCHEMBL8325059 0.83 LMNA (0.36) ALDH1A1PRCP
SCHEMBL8318144 0.82 KMT2A (0.35) ALDH1A1PRCP
SCHEMBL8325063 0.81 HRH4 (0.38) PRCP
SCHEMBL8321623 0.80 GPBAR1 (0.40) ALDH1A1PRCP
SCHEMBL8335147 0.80 HSD11B1 (0.39) HSD11B1ALDH1A1PRCPPYGL

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