SCHEMBL31243882

SCHEMBL31243882

C[C@@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)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 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 3/20 0.54
▸ OPRM1 P35372 2/20 0.53
▸ OPRD1 P41143 2/20 0.53
▸ IL23R Q5VWK5 5/20 0.52
▸ OPRK1 P41145 1/20 0.51
▸ NPY1R P25929 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ NPY4R P50391 1/20 0.51
▸ SLC6A2 P23975 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
SCHEMBL31634763 0.97 IL23R (0.52) KISS1ROPRM1OPRD1IL23ROPRK1
SCHEMBL31243849 0.97 IL23R (0.52) KISS1ROPRM1OPRD1IL23ROPRK1
SCHEMBL31243850 0.97 IL23R (0.52) KISS1ROPRM1OPRD1IL23ROPRK1
SCHEMBL31031570 0.95 KISS1R (0.60) KISS1ROPRM1OPRD1IL23ROPRK1
SCHEMBL31243884 0.93 OPRD1 (0.57) OPRM1OPRD1IL23ROPRK1
SCHEMBL31243862 0.92 OPRD1 (0.58) OPRM1OPRD1IL23ROPRK1
SCHEMBL31243890 0.92 OPRM1 (0.57) OPRM1OPRD1IL23ROPRK1
SCHEMBL30714771 0.92 OPRM1 (0.57) KISS1ROPRM1OPRD1OPRK1NPY1R
SCHEMBL31243883 0.91 BACE1 (0.56) OPRD1
SCHEMBL29531626 0.91 OPRM1 (0.56) KISS1ROPRM1OPRD1OPRK1

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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