SCHEMBL7364514

SCHEMBL7364514

CC(C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N(C(=O)CNC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 11/20 0.39
NPY4R P50391 4/20 0.39
NPY1R P25929 2/20 0.39
NPY2R P49146 2/20 0.39
NPY5R Q15761 2/20 0.39
KISS1R Q969F8 1/20 0.38
C3AR1 Q16581 2/20 0.38
GPR139 Q6DWJ6 1/20 0.37

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
SCHEMBL11294440 0.86 C3AR1 (0.41) NPY4RNPY1RNPY2RNPY5RC3AR1
SCHEMBL887778 0.83 FOLH1 (0.45) FOLH1NPY4RNPY1RNPY2RNPY5R
SCHEMBL188589 0.81 C3AR1 (0.52) FOLH1C3AR1
SCHEMBL188590 0.81 C3AR1 (0.52) FOLH1C3AR1
SCHEMBL7925397 0.81 C3AR1 (0.52) FOLH1C3AR1
SCHEMBL9829010 0.81 CTSL (0.51) GPR139
SCHEMBL1694411 0.81 C3AR1 (0.50) FOLH1C3AR1GPR139
SCHEMBL2750013 0.81 C3AR1 (0.50) FOLH1C3AR1GPR139
Alcohol SCHEMBL29029781 0.79 CA2 (0.49) FOLH1C3AR1
Alcohol SCHEMBL2258594 0.79 CA2 (0.49) FOLH1C3AR1

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-1992014706-A1 CYCLOPENTANE-DERIVED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS PFIZER LIMITED (GB) 1992-09-03 WO disclosed