SCHEMBL30918794

SCHEMBL30918794

C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.39
▸ OPRM1 P35372 10/20 0.39
▸ OPRK1 P41145 10/20 0.39
▸ RAMP3 O60896 3/20 0.37
▸ CALCR P30988 3/20 0.37
▸ NAA50 Q9GZZ1 1/20 0.37
▸ EPHA2 P29317 1/20 0.36
▸ GRB2 P62993 1/20 0.36
▸ CXCR4 P61073 1/20 0.36

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
SCHEMBL31468804 0.87 NAA50 (0.36) APLNRNAA50
SCHEMBL29591223 0.87 NMT1 (0.41) APLNRRAMP3CALCRNAA50
SCHEMBL31265332 0.86 ACE (0.43) OPRM1OPRK1EPHA2
SCHEMBL30918798 0.85 APLNR (0.39) APLNROPRM1OPRK1GRB2
SCHEMBL30099619 0.84 MC4R (0.45) APLNROPRM1OPRK1RAMP3CALCR
SCHEMBL31593308 0.84 OPRM1 (0.41) OPRM1OPRK1EPHA2
SCHEMBL29801838 0.83 OPRM1 (0.52) APLNROPRM1OPRK1EPHA2CXCR4
SCHEMBL29801687 0.83 OPRM1 (0.47) OPRM1OPRK1
SCHEMBL31593298 0.82 APLNR (0.41) APLNROPRM1OPRK1RAMP3CALCR
SCHEMBL30905097 0.82 OPRM1 (0.42) OPRM1OPRK1EPHA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903240-A Logic gate-type polypeptide with tumor specificity, probe, preparation method and application 甘肃天际生物科技有限公司 2024-04-19 — — CN claimed
CN-117903240-B Logic gate-type polypeptide with tumor specificity, probe, preparation method and application 甘肃天际生物科技有限公司 2024-12-24 — — CN disclosed
CN-117903240-A Logic gate-type polypeptide with tumor specificity, probe, preparation method and application 甘肃天际生物科技有限公司 2024-04-19 — — CN disclosed
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