SCHEMBL9614367

SCHEMBL9614367

COc1cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)cc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 15/20 0.42
NPY1R P25929 9/20 0.42
NPY5R Q15761 8/20 0.40
NPY2R P49146 5/20 0.40
BMP1 P13497 2/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38

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
SCHEMBL28595330 0.89 KDM4E (0.38) NPY4RNPY1RNPY5RNPY2RBMP1
SCHEMBL28595326 0.89 KDM4E (0.38) NPY4RNPY1RNPY5RNPY2RBMP1
Hydrochloric Acid SCHEMBL28458668 0.89 KDM4E (0.38) NPY4RNPY1RNPY5RNPY2RBMP1
SCHEMBL1587596 0.87 SIRT1 (0.51)
SCHEMBL9488093 0.87 SIRT1 (0.51)
SCHEMBL1514737 0.86 KDM4E (0.41) NPY4RNPY1RCARM1PRMT6
SCHEMBL28979891 0.86 KDM4E (0.41) NPY4RNPY1RCARM1PRMT6
SCHEMBL1074473 0.86 SIRT1 (0.47)
SCHEMBL9489689 0.82 LMNA (0.40)
SCHEMBL9489681 0.82 LMNA (0.40)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0452330-A4 METHOD AND APPARATUS FOR DIAGNOSING INTRACELLULAR PARASITE INFECTIONS USING AN ENZYME DETECTION SYSTEM 1992-10-14 EP claimed
EP-0452330-A1 METHOD AND APPARATUS FOR DIAGNOSING INTRACELLULAR PARASITE INFECTIONS USING AN ENZYME DETECTION SYSTEM TOTEM HEALTH SCIENCES, INC. (CA) 1991-10-23 EP claimed
WO-1990004644-A1 METHOD AND APPARATUS FOR DIAGNOSING INTRACELLULAR PARASITE INFECTIONS USING AN ENZYME DETECTION SYSTEM TOTEM HEALTH SCIENCES, INC. (CA) 1990-05-03 WO claimed