SCHEMBL24922284

SCHEMBL24922284

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)CCc1cnc[nH]1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.44
▸ HRH3 Q9Y5N1 7/20 0.42
▸ HRH4 Q9H3N8 2/20 0.42
▸ SLC15A2 Q16348 1/20 0.40
▸ TBXAS1 P24557 1/20 0.39
▸ REN P00797 2/20 0.39
▸ ANPEP P15144 1/20 0.38
▸ LNPEP Q9UIQ6 1/20 0.38

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
SCHEMBL27199089 0.81 SLC6A5 (0.66) SLC6A5SLC15A2RENANPEPLNPEP
SCHEMBL22722181 0.81 HRH3 (0.43) HRH3HRH4REN
SCHEMBL15185921 0.76 CYP3A4 (0.49) HRH3HRH4TBXAS1
SCHEMBL18857393 0.76 QPCT (0.49) SLC6A5HRH3HRH4TBXAS1
SCHEMBL18857605 0.76 QPCT (0.49) SLC6A5HRH3HRH4TBXAS1
SCHEMBL17206102 0.76 SLC6A5 (0.73) SLC6A5HRH3SLC15A2
SCHEMBL18862463 0.73 CYP3A4 (0.43) SLC6A5HRH3HRH4TBXAS1
SCHEMBL28220247 0.73 CTSD (0.43) REN
SCHEMBL23083920 0.72 CCNA2 (0.58) SLC15A2REN
SCHEMBL18862329 0.72 SLC15A2 (0.51) SLC6A5SLC15A2RENLNPEP

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-20230035892-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER FLAGSHIP PIONEERING, INC. 2023-02-02 — — US disclosed
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