Sugi Predict

Sugi Predict / Compounds / SCHEMBL6273418

SCHEMBL6273418

SCHEMBL6273418

NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)CP(=O)(O)C(Cc1ccccc1)NC(=O)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 12/20 0.47
▸ ERAP2 Q6P179 1/20 0.45
▸ ERAP1 Q9NZ08 1/20 0.45
▸ LNPEP Q9UIQ6 1/20 0.45
▸ MME P08473 1/20 0.45
▸ ECE1 P42892 1/20 0.45
▸ ACE2 Q9BYF1 1/20 0.43
▸ HRH1 P35367 1/20 0.41
▸ PTPN1 P18031 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
SCHEMBL6271439 0.85 GHSR (0.54) —
SCHEMBL6270159 0.80 REN (0.49) RENERAP2ERAP1LNPEPMME
SCHEMBL6270151 0.79 ERAP2 (0.55) RENERAP2ERAP1LNPEPMME
SCHEMBL6271888 0.79 PTPN1 (0.47) PTPN1
SCHEMBL6271881 0.79 PTPN1 (0.47) PTPN1
SCHEMBL6268162 0.78 PTPN1 (0.52) ERAP2ERAP1LNPEPPTPN1
SCHEMBL8276955 0.76 ERAP2 (0.52) RENERAP2ERAP1LNPEPMME
SCHEMBL6270192 0.76 PTPN1 (0.51) PTPN1
SCHEMBL6273980 0.76 ERAP2 (0.53) RENERAP2ERAP1LNPEPMME
SCHEMBL8275264 0.75 MMP2 (0.43) RENERAP2ERAP1LNPEPMME

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
WO-2005105843-A2 HIV PROTEASE INHIBITORS ARPIDA A/S (DK) 2005-11-10 — — WO claimed
WO-2005105843-A2 HIV PROTEASE INHIBITORS ARPIDA A/S (DK) 2005-11-10 — — WO disclosed