SCHEMBL8330711

SCHEMBL8330711

CNC(NC(Cc1ccc(C(=O)OC)cc1)C1CCCNC1)=C(C#N)C#N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
CTSC P53634 8/20 0.36
KCNH2 Q12809 1/20 0.35
ACACB O00763 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CDK9 P50750 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
SCHEMBL8327687 0.87 DPP4 (0.36) CTSCACACB
SCHEMBL8326152 0.85 MC4R (0.37) CTSCKCNH2
SCHEMBL8326340 0.85 CTSC (0.43) CTSCKCNH2CHRM1CTSL
SCHEMBL8324366 0.83 CTSC (0.33) CTSCKCNH2CHRM2CHRM1CHRM3
SCHEMBL8329020 0.83 KDM4E (0.37) EPHX1CTSCACACB
SCHEMBL8330460 0.83 CTSC (0.46) CTSCKCNH2
SCHEMBL8329549 0.81 CTSC (0.37) CTSCKCNH2CTSS
SCHEMBL8326123 0.74 CTSC (0.37) CTSCKCNH2CTSLCTSBCTSS
SCHEMBL5637757 0.69 SMN1; SMN2 (0.45) EPHX1HPGD
SCHEMBL4591234 0.69 ACACB (0.44) CTSCACACB

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