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SCHEMBL29568898

SCHEMBL29568898

N=C(N)NCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 5/20 0.50
▸ ERAP2 Q6P179 1/20 0.49
▸ LNPEP Q9UIQ6 1/20 0.49
▸ NPY4R P50391 5/20 0.47
▸ NPY1R P25929 4/20 0.47
▸ NPY2R P49146 4/20 0.47
▸ NPY5R Q15761 4/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ QRFPR Q96P65 1/20 0.46

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
SCHEMBL29569472 1.00 OPRL1 (0.50) OPRL1ERAP2LNPEPNPY4RNPY1R
SCHEMBL29569669 1.00 OPRL1 (0.50) OPRL1ERAP2LNPEPNPY4RNPY1R
SCHEMBL29568969 0.96 OPRL1 (0.49) OPRL1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29568713 0.96 ERAP2 (0.51) OPRL1ERAP2LNPEPNPY4RNPY1R
SCHEMBL29569091 0.96 ERAP2 (0.51) OPRL1ERAP2LNPEPNPY4RNPY1R
SCHEMBL29568941 0.95 OPRL1 (0.50) OPRL1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30716045 0.93 OPRL1 (0.50) OPRL1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29568580 0.93 OPRL1 (0.51) OPRL1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29569045 0.93 OPRM1 (0.47) OPRL1ERAP2LNPEPNPY4RNPY1R
SCHEMBL29630522 0.93 OPRD1 (0.49) NPY4RNPY1RNPY2RNPY5ROPRM1

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
EP-3320923-B1 FLUORESCENT IMAGING AGENTS VISEN MEDICAL INC (US) 2022-04-06 — — EP disclosed