SCHEMBL8699188

SCHEMBL8699188

NCC1(CCCCNC(=O)OCc2ccccc2)CCCN1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
TGM2 P21980 1/20 0.47
DPP8 Q6V1X1 3/20 0.46
DPP7 Q9UHL4 3/20 0.46
DPP4 P27487 2/20 0.46
DPP9 Q86TI2 2/20 0.46
KEAP1 Q14145 3/20 0.45
NFE2L2 Q16236 3/20 0.45
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PREP P48147 2/20 0.43
GAA P10253 1/20 0.42
FOLH1 Q04609 1/20 0.41

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
SCHEMBL3977628 0.77 LMNA (0.48) HTTKEAP1NFE2L2LMNASMN1; SMN2
SCHEMBL18254066 0.74 HTT (0.81) HTTTGM2DPP8DPP7KEAP1
SCHEMBL6124697 0.74
SCHEMBL335088 0.73 HTT (0.70) HTTTGM2DPP8DPP7KEAP1
SCHEMBL15346534 0.73 HTT (0.79) HTTTGM2DPP8DPP7KEAP1
SCHEMBL9340146 0.73 HTT (0.79) HTTTGM2DPP8DPP7KEAP1
SCHEMBL9874334 0.73 HTT (0.79) HTTTGM2DPP8DPP7KEAP1
SCHEMBL25568628 0.73 HTT (0.62) HTTTGM2DPP8DPP7DPP4
SCHEMBL21085552 0.73 LMNA (0.57) HTTTGM2DPP8DPP7KEAP1
SCHEMBL336767 0.73 LMNA (0.45) LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741792-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed
US-5741799-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed