SCHEMBL29770296

SCHEMBL29770296

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.61
▸ REN P00797 2/20 0.58
▸ NTSR2 O95665 5/20 0.53
▸ NTSR1 P30989 5/20 0.53
▸ SORT1 Q99523 4/20 0.53
▸ OPRM1 P35372 1/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ NMUR2 Q9GZQ4 1/20 0.53
▸ NMUR1 Q9HB89 1/20 0.53

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
SCHEMBL29770348 0.90 CMA1 (0.59) SLC6A2REN
SCHEMBL29802489 0.86 SLC6A2 (0.60) SLC6A2RENNTSR2NTSR1SORT1
SCHEMBL29770306 0.86 EPHA2 (0.56) SLC6A2RENNTSR2NTSR1SORT1
SCHEMBL31406966 0.83 SLC6A2 (0.72) SLC6A2RENNTSR2NTSR1SORT1
SCHEMBL29830804 0.83 SLC6A2 (0.63) SLC6A2RENNTSR2NTSR1SORT1
SCHEMBL30370219 0.82 SLC6A2 (0.65) SLC6A2RENNTSR2NTSR1SORT1
SCHEMBL31612357 0.82 SLC6A2 (0.73) SLC6A2RENNTSR2NTSR1SORT1
Acetic Acid SCHEMBL11289266 0.82 OPRM1 (0.69) OPRM1OPRD1OPRK1
SCHEMBL31362642 0.82 SLC6A2 (0.75) SLC6A2RENOPRM1OPRD1NMUR2
SCHEMBL18911382 0.81 SLC6A2 (0.64) SLC6A2RENNTSR2NTSR1SORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110105428-B Leu-Arg-Ala-Pro-Leu-Tyr-Val heptapeptide, synthesis, activity and application thereof 首都医科大学 2022-08-05 — — CN claimed
CN-110105428-B Leu-Arg-Ala-Pro-Leu-Tyr-Val heptapeptide, synthesis, activity and application thereof 首都医科大学 2022-08-05 — — CN disclosed
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