SCHEMBL8329549

SCHEMBL8329549

CNC(NC(Cc1ccc(Cl)c(Cl)c1)C1CCCNC1)=C(C#N)C#N

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.37
KCNH2 Q12809 3/20 0.36
CCR2 P41597 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CDK2 P24941 1/20 0.35
AKT1 P31749 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 2/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A4 P31645 1/20 0.33
CTSS P25774 1/20 0.33
OPRK1 P41145 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL8326152 0.89 MC4R (0.37) CTSCKCNH2
SCHEMBL8326340 0.85 CTSC (0.43) CTSCKCNH2
SCHEMBL8329020 0.85 KDM4E (0.37) CTSCOPRK1
SCHEMBL8327687 0.83 DPP4 (0.36) CTSC
SCHEMBL8324366 0.83 CTSC (0.33) CTSCKCNH2CDK2AKT1
SCHEMBL8330460 0.82 CTSC (0.46) CTSCKCNH2SLC6A2SLC6A4
SCHEMBL8330711 0.81 EPHX1 (0.39) CTSCKCNH2CTSS
SCHEMBL8326123 0.73 CTSC (0.37) CTSCKCNH2SLC6A2SLC6A3SLC6A4
SCHEMBL7819177 0.67 CNR2 (0.44) KCNH2CDK2AKT1SLC6A2SLC6A3
SCHEMBL6029151 0.67 CHEK1 (0.39) CTSCCDK2AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
EP-0760362-A1 NOVEL DIAMINOMETHYLIDENE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed