SCHEMBL10924118

SCHEMBL10924118

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC1CC1)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 4/20 0.53
▸ AGTR2 P50052 2/20 0.53
▸ EPHA2 P29317 2/20 0.50
▸ F2 P00734 4/20 0.49
▸ C5AR1 P21730 1/20 0.49
▸ NTSR2 O95665 1/20 0.47
▸ NTSR1 P30989 1/20 0.47
▸ APLNR P35414 1/20 0.47
▸ NPY1R P25929 2/20 0.46
▸ NPY2R P49146 2/20 0.46
▸ NPY4R P50391 2/20 0.46
▸ NPY5R Q15761 2/20 0.46
▸ MC4R P32245 1/20 0.46
▸ CALCR P30988 2/20 0.46
▸ KDM1A O60341 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
Talfirastide SCHEMBL15926158 0.94 AGTR1 (0.59) AGTR1AGTR2EPHA2F2C5AR1
SCHEMBL30901127 0.92 C5AR1 (0.52) AGTR1AGTR2EPHA2F2C5AR1
SCHEMBL8741218 0.91 C5AR1 (0.54) AGTR1AGTR2EPHA2F2C5AR1
SCHEMBL29602954 0.91 C5AR1 (0.55) AGTR1AGTR2C5AR1NTSR2NTSR1
SCHEMBL29701258 0.90 AGTR2 (0.55) AGTR1AGTR2EPHA2F2C5AR1
SCHEMBL30901126 0.90 AGTR1 (0.54) AGTR1AGTR2EPHA2F2C5AR1
SCHEMBL9510693 0.88 AGTR1 (0.60) AGTR1AGTR2EPHA2F2C5AR1
SCHEMBL29972916 0.88 AGTR1 (0.62) AGTR1AGTR2EPHA2F2C5AR1
SCHEMBL15928128 0.88 AGTR2 (0.59) AGTR1AGTR2F2C5AR1NTSR2
SCHEMBL7052378 0.88 AGTR2 (0.65) AGTR1AGTR2EPHA2F2C5AR1

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-4629784-A ENZYME INHIBITORS; HORMONES; STABILIZERS; THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1986-12-16 — — US disclosed
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