SCHEMBL21167756

SCHEMBL21167756

CNC(Cc1ccccc1)C(=O)NC(C=O)CCCNC(=N)N

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CTSK P43235 7/20 0.45
▸ CTSB P07858 4/20 0.45
▸ CTSL P07711 3/20 0.45
▸ CTSH P09668 2/20 0.45
▸ NPY4R P50391 8/20 0.44
▸ NPY1R P25929 5/20 0.44
▸ NPY2R P49146 3/20 0.44
▸ NPY5R Q15761 3/20 0.44
▸ CASP1 P29466 1/20 0.41

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 0.92 NPY4R (0.48) F2SMN1; SMN2NPY4RNPY1RNPY2R
SCHEMBL21360283 0.91 GNPAT (0.52) F2SMN1; SMN2CTSKCTSBCTSL
SCHEMBL3134717 0.86 CTSC (0.45) SMN1; SMN2CTSKCTSBCTSLCTSH
SCHEMBL24736900 0.86 CTSC (0.45) SMN1; SMN2CTSKCTSBCTSLCTSH
SCHEMBL7373235 0.85 CTSS (0.53) CTSKCTSBCTSL
SCHEMBL24178268 0.83 FNTA (0.47) SMN1; SMN2NPY4RNPY1RNPY2RNPY5R
SCHEMBL24401684 0.83 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5R
Antipain SCHEMBL23132673 0.82 SMN1; SMN2 (0.74) SMN1; SMN2CTSKCTSBNPY4RNPY1R
Antipain SCHEMBL642095 0.82 SMN1; SMN2 (0.74) SMN1; SMN2CTSKCTSBNPY4RNPY1R
Antipain SCHEMBL5966873 0.82 SMN1; SMN2 (0.74) SMN1; SMN2CTSKCTSBNPY4RNPY1R

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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