SCHEMBL29367698

SCHEMBL29367698

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.60
▸ NPY4R P50391 8/20 0.60
▸ NPY5R Q15761 8/20 0.60
▸ NPY1R P25929 6/20 0.60
▸ TFPI P10646 4/20 0.58
▸ NMUR2 Q9GZQ4 2/20 0.57
▸ NMUR1 Q9HB89 2/20 0.57
▸ CXCR4 P61073 1/20 0.56
▸ KDM1A O60341 1/20 0.55
▸ OPRM1 P35372 1/20 0.55
▸ OPRK1 P41145 1/20 0.55

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
SCHEMBL29364257 0.94 KEAP1 (0.59) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29625799 0.89 TFPI (0.61) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30429119 0.89 NPY2R (0.67) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30640887 0.89 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182992 0.88 NPY2R (0.66) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29366560 0.88 NMUR2 (0.59) NMUR2NMUR1OPRM1OPRK1
SCHEMBL30288848 0.87 NMUR2 (0.58) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30085017 0.87 CXCR4 (0.60) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29680005 0.87 NMUR2 (0.64) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31598492 0.86 KDM1A (0.59) NPY2RNPY4RNPY5RNPY1RTFPI

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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