SCHEMBL29531402

SCHEMBL29531402

N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCCN)NC(=O)[C@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.50
▸ GHSR Q92847 1/20 0.50
▸ NPY4R P50391 13/20 0.49
▸ NPY1R P25929 8/20 0.49
▸ NPY2R P49146 6/20 0.49
▸ NPY5R Q15761 6/20 0.49
▸ NTSR2 O95665 1/20 0.47
▸ CHRNA1 P02708 1/20 0.46
▸ CHRNG P07510 1/20 0.46
▸ CHRNB1 P11230 1/20 0.46
▸ CHRND Q07001 1/20 0.46
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNB4 P30926 1/20 0.45
▸ CHRNA3 P32297 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45

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
SCHEMBL29876897 0.93 NPY4R (0.51) KDM1ANPY4RNPY1RNPY2RNPY5R
SCHEMBL29666825 0.92 CTSC (0.48) KDM1AGHSRNPY4RNPY1RNPY2R
SCHEMBL29932164 0.91 NPY4R (0.51) KDM1ANPY4RNPY1RNPY2RNPY5R
SCHEMBL7174455 0.90 CTSC (0.49) GHSRNPY4RNPY1RNPY2RNPY5R
SCHEMBL7174450 0.90 CTSC (0.49) GHSRNPY4RNPY1RNPY2RNPY5R
SCHEMBL29387797 0.90 CTSC (0.49) GHSRNPY4RNPY1RNPY2RNPY5R
SCHEMBL30540727 0.90 NPY4R (0.47) KDM1ANPY4RNPY1RNPY2RNPY5R
SCHEMBL7643925 0.89 KDM1A (0.49) KDM1ANPY4RNPY1RNPY2RNPY5R
SCHEMBL29895402 0.89 NPY4R (0.47) KDM1ANPY4RNPY1RNPY2RNPY5R
SCHEMBL7643912 0.89 KDM1A (0.49) KDM1ANPY4RNPY1RNPY2RNPY5R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230393140-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2023-12-07 — — US disclosed
EP-4229211-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI International (US) 2023-08-23 — — EP disclosed
WO-2022082006-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2022-04-21 — — WO disclosed
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