SCHEMBL7361819

SCHEMBL7361819

NC(=O)CC1CCN(C(=O)[CH]Cc2ccc(N)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.38
CCR3 P51677 1/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
LTA4H P09960 1/20 0.36
ITGB3 P05106 4/20 0.35
ITGA2B P08514 4/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 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
SCHEMBL7363740 0.90 GRIN2D (0.44) VNN1LMNAGAALTA4HITGB3
SCHEMBL7364589 0.84 ALDH1A1 (0.50) LMNADPP4DPP8DPP9DPP7
SCHEMBL15650145 0.76 GFER (0.49) LMNAGAAKDM4EMAPT
SCHEMBL7365927 0.73 GRIN2D (0.46) LMNAGAAGRIN2DGRIN3BGRIN1
SCHEMBL7361150 0.73 FAAH (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4096230 0.73 TPSAB1 (0.43) GRIN2BTPSAB1TPSD1TPSG1
SCHEMBL3145712 0.72 SIGMAR1 (0.44) CCR3LTA4HTEAD1
SCHEMBL7364168 0.72 PRSS1 (0.40) LMNAGAATPSAB1TPSD1TPSG1
SCHEMBL7360351 0.72 PARP14 (0.40) GAAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28757734 0.71 CACNA1B (0.50) LMNAGAADPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 WO disclosed