SCHEMBL28090262

SCHEMBL28090262

N[C@@H](Cc1cnc[nH]1)C(=O)OC(=O)c1ccccc1C(=O)OC(=O)[C@@H](N)Cc1cnc[nH]1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.57
▸ SLC7A5 Q01650 1/20 0.57
▸ NLN Q9BYT8 1/20 0.49
▸ LTA4H P09960 1/20 0.48

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
SCHEMBL7518996 0.93 CYP3A4 (0.52) CYP3A4SLC7A5NLNLTA4H
SCHEMBL1537285 0.86 CYP3A4 (0.71) CYP3A4SLC7A5
SCHEMBL163444 0.86 CYP3A4 (0.71) CYP3A4SLC7A5
Hydrochloric Acid SCHEMBL28331180 0.84 CYP3A4 (0.69) CYP3A4SLC7A5
SCHEMBL1007042 0.84 CYP3A4 (0.61) CYP3A4SLC7A5NLNLTA4H
SCHEMBL28328192 0.83 CYP3A4 (0.67) CYP3A4SLC7A5
SCHEMBL5221763 0.82 CYP3A4 (0.65) CYP3A4SLC7A5
SCHEMBL27759486 0.82 CYP3A4 (0.65) CYP3A4SLC7A5
SCHEMBL153062 0.82 CYP3A4 (0.69) CYP3A4SLC7A5LTA4H
SCHEMBL388562 0.81 CYP3A4 (0.73) CYP3A4SLC7A5

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
CN-105944099-A SOLUTION PREPARATION CONTAINING STABILIZED ANTIBODY 中外制药株式会社 2016-09-21 — — CN claimed
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