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Sugi Predict / Compounds / SCHEMBL6269554

SCHEMBL6269554

SCHEMBL6269554

CC(C)C[C@H](NC(=O)CP(=O)(O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 16/20 0.56
▸ ERAP2 Q6P179 1/20 0.54
▸ ERAP1 Q9NZ08 1/20 0.54
▸ LNPEP Q9UIQ6 1/20 0.54
▸ ACE2 Q9BYF1 1/20 0.50
▸ MME P08473 1/20 0.46
▸ ECE1 P42892 1/20 0.46

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
SCHEMBL6270159 0.94 REN (0.49) RENERAP2ERAP1LNPEPACE2
SCHEMBL6273980 0.91 ERAP2 (0.53) RENERAP2ERAP1LNPEPACE2
SCHEMBL6271395 0.88 PIN1 (0.46) RENERAP2ERAP1LNPEPACE2
SCHEMBL6271389 0.88 PIN1 (0.46) RENERAP2ERAP1LNPEPACE2
SCHEMBL6272641 0.86 ERAP2 (0.51) RENERAP2ERAP1LNPEPACE2
SCHEMBL6267285 0.86 ERAP2 (0.51) RENERAP2ERAP1LNPEPACE2
SCHEMBL8275264 0.85 MMP2 (0.43) RENERAP2ERAP1LNPEPACE2
SCHEMBL6273129 0.83 REN (0.41) RENERAP2ERAP1LNPEPACE2
SCHEMBL6273137 0.83 REN (0.41) RENERAP2ERAP1LNPEPACE2
SCHEMBL6270151 0.81 ERAP2 (0.55) RENERAP2ERAP1LNPEPACE2

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