SCHEMBL24725104

SCHEMBL24725104

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.53
▸ SLC7A5 Q01650 1/20 0.53
▸ GHSR Q92847 3/20 0.53
▸ ERAP2 Q6P179 1/20 0.52
▸ ERAP1 Q9NZ08 1/20 0.52
▸ LNPEP Q9UIQ6 1/20 0.52
▸ REN P00797 2/20 0.50
▸ HRH4 Q9H3N8 2/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ THPO P40225 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
SCHEMBL18862042 0.91 REN (0.56) CYP3A4SLC7A5GHSRERAP2ERAP1
SCHEMBL29728766 0.90 CYP3A4 (0.60) CYP3A4SLC7A5ERAP2ERAP1LNPEP
SCHEMBL27806348 0.90 CYP3A4 (0.60) CYP3A4SLC7A5ERAP2ERAP1LNPEP
SCHEMBL18862044 0.86 CYP3A4 (0.57) CYP3A4SLC7A5GHSRREN
SCHEMBL21828702 0.83 CYP3A4 (0.57) CYP3A4SLC7A5ERAP2ERAP1LNPEP
SCHEMBL30595016 0.83 CYP3A4 (0.57) CYP3A4SLC7A5ERAP2ERAP1LNPEP
SCHEMBL27624890 0.83 SLC15A2 (0.61) ERAP2ERAP1LNPEPREN
SCHEMBL23484143 0.82 CYP3A4 (0.56) CYP3A4SLC7A5HRH4HRH3MEN1
SCHEMBL29349749 0.82 CYP3A4 (0.53) CYP3A4SLC7A5ERAP2ERAP1LNPEP
SCHEMBL18862458 0.82 GHSR (0.70) GHSR

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-2022235699-A2 POTENT ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF IMMUNOGLOBULINS AND OTHER PROTEINS AVILAR THERAPEUTICS, INC. (US) 2022-11-10 — — WO disclosed
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