SCHEMBL13481584

SCHEMBL13481584

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 5/20 0.53
▸ DNPEP Q9ULA0 1/20 0.53
▸ SLC7A5 Q01650 1/20 0.44
▸ KISS1R Q969F8 2/20 0.42
▸ SLC1A3 P43003 1/20 0.39
▸ SLC1A2 P43004 1/20 0.39
▸ PEPD P12955 3/20 0.39
▸ LAP3 P28838 4/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.38
▸ XPNPEP1 Q9NQW7 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL13481579 1.00 ANPEP (0.53) ANPEPDNPEPSLC7A5KISS1RSLC1A3
SCHEMBL13481795 1.00 ANPEP (0.53) ANPEPDNPEPSLC7A5KISS1RSLC1A3
SCHEMBL13481580 1.00 ANPEP (0.53) ANPEPDNPEPSLC7A5KISS1RSLC1A3
SCHEMBL2031045 0.81 SLC7A5 (0.56) ANPEPDNPEPSLC7A5SLC1A3SLC1A2
SCHEMBL11467290 0.81 ANPEP (0.53) ANPEPDNPEPSLC7A5SLC1A3SLC1A2
SCHEMBL2034368 0.81 SLC7A5 (0.56) ANPEPDNPEPSLC7A5SLC1A3SLC1A2
SCHEMBL762515 0.81 SLC7A5 (0.56) ANPEPDNPEPSLC7A5SLC1A3SLC1A2
SCHEMBL2029393 0.81 SLC7A5 (0.56) ANPEPDNPEPSLC7A5SLC1A3SLC1A2
SCHEMBL1247473 0.81 SLC7A5 (0.56) ANPEPDNPEPSLC7A5SLC1A3SLC1A2
SCHEMBL2452941 0.81 SLC7A5 (0.56) ANPEPDNPEPSLC7A5SLC1A3SLC1A2

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-7666391-B2 Therapeutic treating breast cancer BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-23 — — US disclosed
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