SCHEMBL29780331

SCHEMBL29780331

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 7/20 0.59
▸ NTSR2 O95665 4/20 0.59
▸ LNPEP Q9UIQ6 2/20 0.55
▸ ERAP2 Q6P179 1/20 0.55
▸ F2 P00734 2/20 0.52
▸ ACE P12821 2/20 0.52
▸ MME P08473 1/20 0.52
▸ CPA1 P15085 1/20 0.52
▸ ACE2 Q9BYF1 1/20 0.52
▸ SORT1 Q99523 3/20 0.50
▸ GRB2 P62993 1/20 0.49
▸ NPY1R P25929 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ NPY4R P50391 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
SCHEMBL30463285 0.97 NTSR2 (0.62) NTSR1NTSR2LNPEPERAP2F2
SCHEMBL9294767 0.94 NTSR2 (0.59) NTSR1NTSR2LNPEPERAP2F2
SCHEMBL9294748 0.94 NTSR2 (0.59) NTSR1NTSR2LNPEPERAP2F2
SCHEMBL30578955 0.91 LNPEP (0.58) NTSR1NTSR2LNPEPERAP2NPY1R
SCHEMBL29612288 0.91 NTSR1 (0.60) NTSR1NTSR2LNPEPERAP2F2
SCHEMBL29611893 0.90 NTSR1 (0.61) NTSR1NTSR2F2ACEMME
SCHEMBL29386049 0.88 LNPEP (0.66) LNPEPERAP2ACEMMENPY1R
SCHEMBL338636 0.88 LNPEP (0.66) LNPEPERAP2ACEMMENPY1R
SCHEMBL29370934 0.88 LNPEP (0.66) LNPEPERAP2ACEMMENPY1R
SCHEMBL29371447 0.88 LNPEP (0.66) LNPEPERAP2ACEMMENPY1R

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
US-20220249605-A1 Treatment of Mood and Anxiety Disorders ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2022-08-11 — — US disclosed
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