SCHEMBL2716294

SCHEMBL2716294

CCCCC(NC(=O)c1cc(Cl)cnc1-n1cnc(-c2ccccc2)c1)C1(C(N)=O)OCCO1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 5/20 0.53
TACR3 P29371 4/20 0.35
GCG P01275 1/20 0.33
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
GAS6 Q14393 1/20 0.33
CRHR1 P34998 1/20 0.33
CRHR2 Q13324 1/20 0.33
DCAF1 Q9Y4B6 1/20 0.32
TSHR P16473 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
SLC6A9 P48067 1/20 0.31
P2RY12 Q9H244 1/20 0.31
MAP4K4 O95819 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL2715090 0.89 CAPN1 (0.43) CAPN1CRHR1CRHR2DCAF1MAP4K4
SCHEMBL2716408 0.88 CAPN1 (0.69) CAPN1TACR3CNR1CNR2
SCHEMBL2715483 0.88 CAPN1 (0.51) CAPN1TACR3
SCHEMBL2714925 0.87 CAPN1 (0.53) CAPN1
SCHEMBL2715518 0.86 CAPN1 (0.59) CAPN1SLC6A9MAP4K4CNR1CNR2
SCHEMBL2716990 0.85 CAPN1 (0.58) CAPN1DCAF1SLC6A9CNR2
SCHEMBL2715422 0.83 CAPN1 (0.54) CAPN1SLC6A9CNR1CNR2
SCHEMBL16551487 0.82 CAPN1 (0.77) CAPN1TACR3GCGDCAF1
SCHEMBL2714449 0.82 CAPN1 (0.59) CAPN1CNR1CNR2
Hydrochloric Acid SCHEMBL541203 0.82 CAPN1 (0.75) CAPN1TACR3GCGDCAF1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238130-B1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO KG (DE) 2012-05-02 EP claimed
EP-2238130-B1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO KG (DE) 2012-05-02 EP disclosed
EP-2238130-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS Abbott GmbH & Co. KG (DE) 2010-10-13 EP disclosed
WO-2009083581-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2009-07-09 WO disclosed