SCHEMBL21167845

SCHEMBL21167845

N=C(N)NCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccccc1)C(=O)NC(C=O)CCCCN

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 11/20 0.52
▸ NPY1R P25929 6/20 0.52
▸ NPY2R P49146 4/20 0.52
▸ NPY5R Q15761 4/20 0.52
▸ OPRK1 P41145 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ MMP2 P08253 1/20 0.45
▸ KISS1R Q969F8 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL23082831 0.91 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5RSMN1; SMN2
SCHEMBL29406427 0.90 NPY4R (0.56) NPY4RNPY1RNPY2RNPY5ROPRK1
SCHEMBL29641042 0.90 NPY4R (0.61) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL29549393 0.90 NPY4R (0.56) NPY4RNPY1RNPY2RNPY5ROPRK1
SCHEMBL30118077 0.90 NPY4R (0.56) NPY4RNPY1RNPY2RNPY5ROPRK1
SCHEMBL29641040 0.90 NPY4R (0.61) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL29641130 0.90 NPY4R (0.61) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL22133073 0.90 NPY4R (0.61) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL29641095 0.90 NPY4R (0.61) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL31389332 0.89 NPY4R (0.54) NPY4RNPY1RNPY2RNPY5RMMP2

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-2928902-B1 CONJUGATE COMPOUNDS VICTORIA LINK LTD (NZ) 2019-07-17 — — EP disclosed
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