SCHEMBL29773087

SCHEMBL29773087

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

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 11/20 0.59
▸ OPRM1 P35372 10/20 0.59
▸ OPRK1 P41145 3/20 0.59
▸ BACE1 P56817 4/20 0.55
▸ PTPN1 P18031 2/20 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
SCHEMBL31614432 0.90 OPRD1 (0.56) OPRD1OPRM1OPRK1BACE1
SCHEMBL31614425 0.88 OPRD1 (0.56) OPRD1OPRM1OPRK1
SCHEMBL9819593 0.87 OPRD1 (0.71) OPRD1OPRM1OPRK1
SCHEMBL29602768 0.86 OPRM1 (0.62) OPRD1OPRM1OPRK1BACE1
SCHEMBL1374063 0.86 OPRD1 (0.56) OPRD1OPRM1OPRK1BACE1PTPN1
SCHEMBL30582479 0.85 OPRD1 (0.69) OPRD1OPRM1OPRK1
SCHEMBL29384172 0.85 LTA4H (0.62) BACE1
SCHEMBL29771977 0.84 EGFR (0.49) OPRD1OPRM1OPRK1BACE1PTPN1
SCHEMBL31614449 0.84 OPRD1 (0.53) OPRD1OPRM1OPRK1BACE1
SCHEMBL29626871 0.84 OPRD1 (0.70) OPRD1OPRM1OPRK1

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-108721647-B Multi-mode nano probe for guiding accurate excision of glioma 复旦大学附属华山医院 2022-05-17 — — CN claimed
CN-108721647-B Multi-mode nano probe for guiding accurate excision of glioma 复旦大学附属华山医院 2022-05-17 — — CN disclosed
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