SCHEMBL6212911

SCHEMBL6212911

CCCc1c(C(=O)N=C(N)N)cnn1-c1cccc2cccnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.52
SLC9A2 Q9UBY0 4/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 6/20 0.38
MAPT P10636 4/20 0.36
GAA P10253 3/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL6215910 0.92 SLC9A1 (0.53) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL4458538 0.85 SLC9A1 (0.73) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6321368 0.84 SLC9A1 (0.71) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL6599427 0.84 SLC9A1 (0.71) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6315678 0.83 SLC9A1 (0.70) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL6218848 0.81 SLC9A1 (0.53) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL4452242 0.80 SLC9A1 (0.48) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL3716453 0.79 SLC9A1 (0.70) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6319943 0.79 SLC9A1 (0.69) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL4451940 0.78 SLC9A1 (0.73) SLC9A1SLC9A2OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216257-B1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2005-12-07 EP claimed
EP-1056729-B1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2004-12-29 EP claimed