SCHEMBL8325601

SCHEMBL8325601

CNC(NC(Cc1ccc(F)cc1)C1CCCCN1)=C(C#N)C#N

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSC P53634 6/20 0.36
CTSK P43235 2/20 0.36
KCNH2 Q12809 2/20 0.36
FPR1 P21462 2/20 0.36
FPR2 P25090 2/20 0.36
DPP4 P27487 2/20 0.34
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 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
SCHEMBL8326123 0.82 CTSC (0.37) CTSCCTSKKCNH2FPR1FPR2
SCHEMBL8326340 0.81 CTSC (0.43) CTSCKCNH2
SCHEMBL8326152 0.71 MC4R (0.37) CTSCKCNH2
SCHEMBL8327687 0.69 DPP4 (0.36) CTSCDPP4FAPDPP8DPP9
SCHEMBL8329549 0.67 CTSC (0.37) CTSCKCNH2
SCHEMBL8328601 0.65 BCHE (0.41)
SCHEMBL10821633 0.64 DPP4 (0.40) DPP4FAPDPP8DPP9DPP7
SCHEMBL8325591 0.63 OPRM1 (0.40)
SCHEMBL8329414 0.62 SIGMAR1 (0.53)
SCHEMBL3172811 0.62 HIF1A (0.62)

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