SCHEMBL8203345

SCHEMBL8203345

C(=C/Cn1nnc2ccccc21)\Cn1nnc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.63
GRM2 Q14416 2/20 0.59
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
GLA P06280 1/20 0.54
KCNMA1 Q12791 1/20 0.53
EGLN3 Q9H6Z9 1/20 0.53
MGAM O43451 1/20 0.51
AMY1A P0DUB6 1/20 0.51
GAA P10253 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP2D6 P10635 1/20 0.50
RPS6KA3 P51812 1/20 0.50

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
SCHEMBL19865395 0.91 SLC9A1 (0.54) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL28745839 0.89 SLC9A1 (0.56) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL6039571 0.85 SLC9A1 (0.59) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL29693659 0.85 SLC9A1 (0.59) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL31067332 0.85 SLC9A1 (0.59) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL8060036 0.85 SLC9A1 (0.59) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL253038 0.85 SLC9A1 (0.59) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL8062142 0.85 SLC9A1 (0.65) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL31234269 0.81 SLC9A1 (0.70) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL1774497 0.81 SLC9A1 (0.70) SLC9A1GRM2RAB9ANPC1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089385-B1 INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2016-01-06 EP disclosed
WO-2008064057-A1 MACROCYCLIC PEPTIDES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-29 WO disclosed
WO-2008064061-A1 MACROCYCLIC PEPTIDES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-29 WO disclosed
WO-2008057875-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
WO-2008057871-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
WO-2008057873-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
WO-2008008776-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-17 WO disclosed