SCHEMBL31243883

SCHEMBL31243883

CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 10/20 0.56
▸ BACE2 Q9Y5Z0 3/20 0.56
▸ OPRD1 P41143 2/20 0.54
▸ CTSD P07339 1/20 0.53
▸ TFPI P10646 1/20 0.52
▸ VIPR2 P41587 1/20 0.50

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
SCHEMBL31243850 0.95 IL23R (0.52) BACE1BACE2OPRD1VIPR2
SCHEMBL31243849 0.95 IL23R (0.52) BACE1BACE2OPRD1VIPR2
SCHEMBL31634763 0.95 IL23R (0.52) BACE1BACE2OPRD1VIPR2
SCHEMBL31243861 0.94 OPRD1 (0.62) OPRD1TFPI
SCHEMBL31243860 0.92 KISS1R (0.52) OPRD1TFPI
SCHEMBL31243882 0.91 KISS1R (0.54) OPRD1
SCHEMBL31243889 0.91 BACE1 (0.53) BACE1BACE2OPRD1TFPI
SCHEMBL29794844 0.91 BACE1 (0.57) BACE1BACE2CTSD
SCHEMBL11040848 0.91 OPRK1 (0.54) OPRD1
SCHEMBL11040843 0.91 OPRK1 (0.54) OPRD1

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-120202191-A Inhibitors of prostate specific membrane antigen and uses thereof 上海先通生物科技有限公司 2025-06-24 — — CN disclosed
CN-119072472-A FAP inhibitors 上海先通生物科技有限公司 2024-12-03 — — CN disclosed
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