SCHEMBL8318975

SCHEMBL8318975

C=C(NC(C)c1nc2cc(Cl)ccc2[nH]1)c1cc(Cl)c(C(=O)N2CCCCC2C)cc1/N=C\N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
POLB P06746 1/20 0.39
HSD11B1 P28845 1/20 0.38
KCNK3 O14649 1/20 0.35
CCKBR P32239 1/20 0.35
PRCP P42785 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
GRM5 P41594 1/20 0.33
DPP7 Q9UHL4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
PDE9A O76083 1/20 0.32
PDE1B Q01064 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 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 0.90 PRCP (0.37) HSD11B1PRCPLMNATDP1HCRTR1
SCHEMBL8323729 0.90 PRCP (0.35) HSD11B1PRCPHTTRAB9ATDP1
SCHEMBL8324904 0.89 HRH3 (0.40) PRCPNPC1
SCHEMBL8325063 0.89 HRH4 (0.38) PRCPNPC1RAB9ATDP1
SCHEMBL8325059 0.88 LMNA (0.36) HPGDPRCPTP53ALDH1A1LMNA
SCHEMBL8321623 0.87 GPBAR1 (0.40) PRCPSMN1; SMN2ALDH1A1LMNA
SCHEMBL8318144 0.86 KMT2A (0.35) KCNK3PRCPMAPTALDH1A1TSHR
SCHEMBL8321663 0.86 HSD11B1 (0.32) HSD11B1PRCPALDH1A1
SCHEMBL8324593 0.85 HSD11B1 (0.32) HSD11B1PRCP
SCHEMBL8324137 0.85 PRCP (0.33) PRCPTSHRTDP1

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