SCHEMBL8330460

SCHEMBL8330460

CNC(NC(Cc1ccc(C(F)(F)F)cc1)C1CCCNC1)=C(C#N)C#N

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSC P53634 7/20 0.46
KCNH2 Q12809 2/20 0.36
DPP4 P27487 2/20 0.36
FAP Q12884 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
KDM1A O60341 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
FFAR2 O15552 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
SCHEMBL8326340 0.89 CTSC (0.43) CTSCKCNH2
SCHEMBL8324366 0.87 CTSC (0.33) CTSCKCNH2
SCHEMBL8326152 0.87 MC4R (0.37) CTSCKCNH2
SCHEMBL8327687 0.85 DPP4 (0.36) CTSCDPP4FAPDPP8DPP9
SCHEMBL8330711 0.83 EPHX1 (0.39) CTSCKCNH2
SCHEMBL8329549 0.82 CTSC (0.37) CTSCKCNH2SLC6A2SLC6A4
SCHEMBL8329020 0.81 KDM4E (0.37) CTSC
SCHEMBL8326123 0.77 CTSC (0.37) CTSCKCNH2DPP4FAPDPP8
SCHEMBL3754139 0.71 SLC6A2 (0.41) CTSCKCNH2DPP4FAPDPP8
SCHEMBL8325601 0.71 CTSC (0.36) CTSCKCNH2DPP4FAPDPP8

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