SCHEMBL21782583

SCHEMBL21782583

COC(=O)C(CCCNC(=N)N)NC(=O)C(I)CCCCN

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 9/20 0.46
▸ NPY1R P25929 7/20 0.46
▸ SIRT6 Q8N6T7 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ NPY5R Q15761 6/20 0.37
▸ NPY2R P49146 4/20 0.37
▸ ERAP2 Q6P179 5/20 0.37
▸ LNPEP Q9UIQ6 4/20 0.37
▸ ERAP1 Q9NZ08 2/20 0.36
▸ NMT2 O60551 1/20 0.36
▸ NMT1 P30419 1/20 0.36
▸ GNAI3 P08754 1/20 0.36
▸ GNAO1 P09471 1/20 0.36
▸ GNAI1 P63096 1/20 0.36

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
SCHEMBL16263595 0.88 NPY4R (0.48) NPY4RNPY1RSIRT6SIRT1NPY5R
SCHEMBL10792547 0.88 NPY4R (0.57) NPY4RNPY1RSIRT6SIRT1NPY5R
SCHEMBL10792564 0.88 NPY4R (0.57) NPY4RNPY1RSIRT6SIRT1NPY5R
SCHEMBL21782631 0.87 ERAP2 (0.43) SIRT6SIRT1ERAP2LNPEPERAP1
SCHEMBL20620363 0.86 NPY4R (0.48) NPY4RNPY1RSIRT6SIRT1NPY5R
SCHEMBL21782661 0.82 NPY4R (0.41) NPY4RNPY1RSIRT1NPY5RNPY2R
SCHEMBL21782708 0.82 GNAI3 (0.35) NPY4RNPY1RSIRT6SIRT1NPY5R
SCHEMBL17015152 0.82 NPY4R (0.50) NPY4RNPY1RNPY5RNPY2R
SCHEMBL21782578 0.81 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2R
SCHEMBL16263594 0.81 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2R

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-2753613-B1 DERIVATIVES OF XANTHONE COMPOUNDS AGENCY SCIENCE TECH & RES (SG) 2020-03-04 — — EP disclosed
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