SCHEMBL9698417

SCHEMBL9698417

CC(C)C[C@H](N)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 3/20 0.62
▸ RNPEP Q9H4A4 1/20 0.62
▸ DNPEP Q9ULA0 1/20 0.62
▸ SLC1A3 P43003 1/20 0.60
▸ SLC1A2 P43004 1/20 0.60
▸ SLC1A1 P43005 1/20 0.60
▸ CYP1A2 P05177 1/20 0.54
▸ FOLH1 Q04609 2/20 0.49
▸ NAALAD2 Q9Y3Q0 1/20 0.49
▸ CPA1 P15085 2/20 0.49
▸ CPA3 P15088 2/20 0.49
▸ CPB1 P15086 1/20 0.49
▸ CPB2 Q96IY4 1/20 0.49
▸ MME P08473 1/20 0.48
▸ LTA4H P09960 1/20 0.48
▸ ERAP2 Q6P179 2/20 0.48
▸ ALPI P09923 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ XIAP P98170 1/20 0.47

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
SCHEMBL7436306 0.88 SLC1A3 (0.68) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL7436311 0.88 SLC1A3 (0.68) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL3928753 0.84 CYP1A2 (0.70) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL7426413 0.81 SLC1A3 (0.59) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL7440641 0.81 SLC1A3 (0.59) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL7440636 0.81 SLC1A3 (0.59) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL8893790 0.81 SLC1A3 (0.59) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL8894863 0.81 REN (0.52) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL8894868 0.81 REN (0.52) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL7434946 0.80 SLC1A3 (0.57) ANPEPRNPEPDNPEPSLC1A3SLC1A2

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
EP-0481311-A2 Aminoacid derivatives MERCK PATENT GmbH (DE) 1992-04-22 — — EP disclosed
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