SCHEMBL31243862

SCHEMBL31243862

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

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.58
▸ OPRM1 P35372 5/20 0.58
▸ OPRK1 P41145 3/20 0.58
▸ IL23R Q5VWK5 9/20 0.55
▸ TFPI P10646 1/20 0.54
▸ OPRL1 P41146 1/20 0.53
▸ KEAP1 Q14145 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
SCHEMBL31243890 0.97 OPRM1 (0.57) OPRD1OPRM1OPRK1IL23RTFPI
SCHEMBL31243945 0.95 OPRD1 (0.56) OPRD1OPRM1OPRK1IL23RTFPI
SCHEMBL31243884 0.94 OPRD1 (0.57) OPRD1OPRM1OPRK1IL23ROPRL1
SCHEMBL31243858 0.94 TFPI (0.55) OPRD1OPRM1OPRK1IL23RTFPI
SCHEMBL31243949 0.94 OPRD1 (0.61) OPRD1OPRM1OPRK1
SCHEMBL31243861 0.94 OPRD1 (0.62) OPRD1OPRM1OPRK1TFPI
SCHEMBL31243855 0.94 OPRD1 (0.59) OPRD1OPRM1OPRK1TFPIOPRL1
SCHEMBL31243914 0.93 OPRD1 (0.63) OPRD1OPRM1OPRK1
SCHEMBL31243925 0.92 TFPI (0.60) OPRD1OPRM1OPRK1IL23RTFPI
SCHEMBL31243882 0.92 KISS1R (0.54) OPRD1OPRM1OPRK1IL23R

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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