SCHEMBL8324904

SCHEMBL8324904

C=C(N[C@@H](C)c1nc2cc(Cl)ccc2[nH]1)c1cc(Cl)c(C(=O)N2CCC[C@H]2CN2CCCC2)cc1/N=C\N

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.40
MET P08581 6/20 0.37
PRCP P42785 3/20 0.35
UTS2R Q9UKP6 3/20 0.34
CSF1R P07333 1/20 0.34
NPC1 O15118 1/20 0.33
OPRK1 P41145 1/20 0.33

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 0.93 PRCP (0.37) HRH3PRCP
SCHEMBL8323729 0.93 PRCP (0.35) PRCP
SCHEMBL8318975 0.89 HPGD (0.39) PRCPNPC1
SCHEMBL8321663 0.86 HSD11B1 (0.32) PRCP
SCHEMBL8325059 0.86 LMNA (0.36) PRCP
SCHEMBL8324593 0.86 HSD11B1 (0.32) PRCP
SCHEMBL8318144 0.86 KMT2A (0.35) PRCP
SCHEMBL8325063 0.86 HRH4 (0.38) HRH3PRCPNPC1
SCHEMBL8321623 0.84 GPBAR1 (0.40) PRCP
SCHEMBL8324137 0.82 PRCP (0.33) HRH3PRCP

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