SCHEMBL30329534

SCHEMBL30329534

N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.41
▸ NRP1 O14786 3/20 0.40
▸ CALCRL Q16602 3/20 0.39
▸ RAMP1 O60894 1/20 0.39
▸ EPHA2 P29317 2/20 0.39
▸ CXCR4 P61073 1/20 0.39
▸ PLK1 P53350 1/20 0.38
▸ NMUR2 Q9GZQ4 2/20 0.38
▸ NMUR1 Q9HB89 2/20 0.38
▸ NTSR2 O95665 2/20 0.37
▸ NTSR1 P30989 2/20 0.37
▸ SORT1 Q99523 1/20 0.37

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
SCHEMBL30385468 0.94 NRP1 (0.43) OPRM1NRP1PLK1NMUR2NMUR1
SCHEMBL31410831 0.93 KEAP1 (0.42) NRP1CALCRLRAMP1EPHA2CXCR4
SCHEMBL29823805 0.90 RAMP3 (0.39) NRP1CXCR4PLK1
SCHEMBL31415944 0.90 NTSR2 (0.46) PLK1NMUR2NMUR1NTSR2NTSR1
SCHEMBL30658569 0.89 NMUR2 (0.40) OPRM1NRP1CXCR4PLK1NMUR2
SCHEMBL30658573 0.88 NMUR2 (0.43) OPRM1NRP1PLK1NMUR2NMUR1
SCHEMBL30141666 0.88 NAA50 (0.42) NRP1PLK1
SCHEMBL31165891 0.87 NRP1 (0.41) OPRM1NRP1EPHA2CXCR4PLK1
SCHEMBL29781133 0.86 NAA50 (0.41) NRP1PLK1NMUR2NMUR1
SCHEMBL31573975 0.86 OPRM1 (0.48) OPRM1EPHA2CXCR4NMUR2NMUR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116251195-A Paclitaxel targeting peptide conjugate and application thereof 哈尔滨吉象隆生物技术有限公司 2023-06-13 — — CN claimed
CN-115869312-A PDC (polycrystalline diamond compact) antitumor drug as well as preparation method and application thereof 哈尔滨吉象隆生物技术有限公司 2023-03-31 — — CN claimed
CN-115869312-B PDC anti-tumor medicine and preparation method and application thereof 哈尔滨吉象隆生物技术有限公司 2024-02-27 — — CN disclosed
CN-116251195-B Paclitaxel targeting peptide conjugate and application thereof 哈尔滨吉象隆生物技术有限公司 2023-12-05 — — CN disclosed
CN-116251195-A Paclitaxel targeting peptide conjugate and application thereof 哈尔滨吉象隆生物技术有限公司 2023-06-13 — — CN disclosed
CN-115869312-A PDC (polycrystalline diamond compact) antitumor drug as well as preparation method and application thereof 哈尔滨吉象隆生物技术有限公司 2023-03-31 — — CN disclosed
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