SCHEMBL16416715

SCHEMBL16416715

CC(NC(=O)CNC1CCCCC1)C(=O)NC(CCCNC(=N)N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ EPHX2 P34913 4/20 0.43
▸ CPB2 Q96IY4 6/20 0.39
▸ NPY5R Q15761 4/20 0.38
▸ NPY4R P50391 4/20 0.38
▸ NPY1R P25929 3/20 0.38
▸ NRP1 O14786 1/20 0.35
▸ NPY2R P49146 1/20 0.35

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
SCHEMBL16416229 0.82 ALDH1A1 (0.38) SMN1; SMN2NPY5RNPY4RNPY1R
SCHEMBL29355811 0.81 NPY4R (0.41) NPY5RNPY4RNPY1RNRP1NPY2R
SCHEMBL30676972 0.80 CPB2 (0.48) EPHX2CPB2NPY5RNPY4RNPY1R
SCHEMBL29414400 0.80 NPY4R (0.43) NPY5RNPY4RNPY1RNRP1NPY2R
SCHEMBL29824904 0.80 MEN1 (0.41) NPY5RNPY4RNPY1RNRP1
SCHEMBL29533810 0.79 NPY4R (0.44) NPY5RNPY4RNPY1RNPY2R
Acetic Acid SCHEMBL31070917 0.79 SMN1; SMN2 (0.42) SMN1; SMN2EPHX2CPB2NPY5RNPY4R
SCHEMBL29355526 0.78 NPY4R (0.46) NPY5RNPY4RNPY1RNPY2R
SCHEMBL29715957 0.78 NPY4R (0.45) SMN1; SMN2NPY5RNPY4RNPY1RNPY2R
SCHEMBL30524336 0.78 NPY4R (0.49) NPY5RNPY4RNPY1RNRP1NPY2R

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
WO-2015013495-A1 METHODS AND COMPOSITIONS FOR DETECTING COAGULATION INHIBITORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-01-29 — — WO disclosed
Send feedback