SCHEMBL8326152

SCHEMBL8326152

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC4R P32245 3/20 0.37
CTSC P53634 5/20 0.35
KCNH2 Q12809 2/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL8326340 0.90 CTSC (0.43) CTSCKCNH2
SCHEMBL8329549 0.89 CTSC (0.37) CTSCKCNH2
SCHEMBL8327687 0.88 DPP4 (0.36) CTSCSMN1; SMN2
SCHEMBL8324366 0.88 CTSC (0.33) CTSCKCNH2
SCHEMBL8330460 0.87 CTSC (0.46) CTSCKCNH2
SCHEMBL8330711 0.85 EPHX1 (0.39) CTSCKCNH2
SCHEMBL8329020 0.83 KDM4E (0.37) CTSC
SCHEMBL8326123 0.78 CTSC (0.37) CTSCKCNH2
SCHEMBL8328007 0.72 HTR3A (0.41) KCNH2
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