SCHEMBL21782578

SCHEMBL21782578

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.49
▸ NPY1R P25929 9/20 0.49
▸ NPY5R Q15761 8/20 0.40
▸ NPY2R P49146 5/20 0.40
▸ FOLH1 Q04609 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TSHR P16473 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
SCHEMBL20072813 0.95 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RHSD17B10
SCHEMBL17015152 0.90 NPY4R (0.50) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL27431217 0.89 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL27431216 0.89 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL30434218 0.86 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2R
SCHEMBL16263594 0.86 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RFOLH1
Hydrochloric Acid SCHEMBL29508688 0.85 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2R
Hydrochloric Acid SCHEMBL29726986 0.85 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2R
Hydrochloric Acid SCHEMBL30380134 0.85 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2R
SCHEMBL18375259 0.84 NPY4R (0.50) 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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