SCHEMBL8326340

SCHEMBL8326340

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

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSC P53634 9/20 0.43
CHRM1 P11229 1/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.34
CTSL P07711 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
SCHEMBL8326152 0.90 MC4R (0.37) CTSCKCNH2
SCHEMBL8330460 0.89 CTSC (0.46) CTSCKCNH2
SCHEMBL8326123 0.88 CTSC (0.37) CTSCKCNH2CTSL
SCHEMBL8327687 0.88 DPP4 (0.36) CTSC
SCHEMBL8324366 0.88 CTSC (0.33) CTSCCHRM1KCNH2
SCHEMBL8330711 0.85 EPHX1 (0.39) CTSCCHRM1KCNH2CTSL
SCHEMBL8329549 0.85 CTSC (0.37) CTSCKCNH2
SCHEMBL8329020 0.83 KDM4E (0.37) CTSC
SCHEMBL8325601 0.81 CTSC (0.36) CTSCKCNH2
SCHEMBL4591234 0.68 ACACB (0.44) CTSC

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