SCHEMBL8325063

SCHEMBL8325063

C=C(NC(C)c1nc2cc(Cl)ccc2[nH]1)c1cc(Cl)c(C(=O)N2CCCCC2)cc1/N=C\N

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.38
HRH3 Q9Y5N1 3/20 0.38
PTGS2 P35354 1/20 0.34
PRCP P42785 7/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALPL P05186 2/20 0.33
ALOX15 P16050 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL8324137 0.92 PRCP (0.33) HRH4HRH3PRCPTDP1HRH1
SCHEMBL8318975 0.89 HPGD (0.39) PRCPTDP1NPC1RAB9A
SCHEMBL8323902 0.87 GRIN2B (0.40) PTGS2PRCPTDP1
SCHEMBL8320315 0.86 PRCP (0.37) HRH3PRCPTDP1
SCHEMBL8323729 0.86 PRCP (0.35) PRCPTDP1RAB9A
SCHEMBL8324904 0.86 HRH3 (0.40) HRH3PRCPNPC1
SCHEMBL8325059 0.85 LMNA (0.36) PRCPTDP1
SCHEMBL8318144 0.83 KMT2A (0.35) PRCPRAB9A
SCHEMBL8321623 0.83 GPBAR1 (0.40) PRCP
SCHEMBL8324737 0.83 ALDH1A1 (0.31) HRH4HRH3

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