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SCHEMBL29367188

SCHEMBL29367188

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 3/20 0.57
▸ C5AR1 P21730 1/20 0.56
▸ RAMP3 O60896 12/20 0.52
▸ CALCR P30988 12/20 0.52
▸ NMUR2 Q9GZQ4 1/20 0.51
▸ NMUR1 Q9HB89 1/20 0.51
▸ PLK1 P53350 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
SCHEMBL29364358 0.94 APLNR (0.57) APLNRC5AR1RAMP3CALCRNMUR2
SCHEMBL31529689 0.90 C5AR1 (0.54) APLNRC5AR1RAMP3CALCRNMUR2
SCHEMBL30884601 0.89 APLNR (0.58) APLNRC5AR1RAMP3CALCRNMUR2
SCHEMBL29801157 0.89 APLNR (0.60) APLNRC5AR1RAMP3CALCRNMUR2
SCHEMBL31529690 0.89 APLNR (0.60) APLNRC5AR1RAMP3CALCR
SCHEMBL30620469 0.88 CTSL (0.54) APLNRC5AR1RAMP3CALCR
SCHEMBL30032548 0.87 C5AR1 (0.56) APLNRC5AR1RAMP3CALCR
SCHEMBL30218690 0.87 APLNR (0.65) APLNRC5AR1RAMP3CALCRNMUR2
SCHEMBL30311901 0.87 APLNR (0.65) APLNRC5AR1RAMP3CALCRNMUR2
SCHEMBL30311976 0.87 APLNR (0.65) APLNRC5AR1RAMP3CALCRNMUR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113045672-B Magnetic fluorescent composite probe for detecting matrix metalloproteinase-2 and preparation method and application thereof 甘肃省科学院传感技术研究所 2022-02-01 — — CN disclosed
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