SCHEMBL6989412

SCHEMBL6989412

N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C(=O)c1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 1/20 0.38
NPY4R P50391 9/20 0.37
NPY5R Q15761 8/20 0.37
NPY1R P25929 7/20 0.37
NPY2R P49146 5/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
PADI6 Q6TGC4 1/20 0.37
PADI4 Q9UM07 1/20 0.37
PADI2 Q9Y2J8 1/20 0.37
ROCK2 O75116 1/20 0.36
CCKBR P32239 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
MC4R P32245 1/20 0.35
MC3R P41968 1/20 0.35
MC1R Q01726 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
SCHEMBL2304374 0.82 MC4R (0.39) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL8515668 0.77 HDAC1 (0.45) NPY4RNPY5RNPY1RNPY2RPDE4A
SCHEMBL8342382 0.77 MEN1 (0.43) NPY4RNPY5RNPY1RNPY2RROCK2
SCHEMBL30743663 0.77 FOLH1 (0.51) NPY4RNPY5RNPY1RNPY2RMC4R
SCHEMBL10420284 0.76 HDAC1 (0.38)
Hydrochloric Acid SCHEMBL28274785 0.76 MEN1 (0.43) NPY4RNPY5RNPY1RNPY2RROCK2
Hydrochloric Acid SCHEMBL28274778 0.76 MEN1 (0.43) NPY4RNPY5RNPY1RNPY2RROCK2
Naphthylamine SCHEMBL27915557 0.75 C3AR1 (0.46) NPY4RNPY5RNPY1RNPY2RSIRT5
SCHEMBL31318380 0.74 NPY4R (0.56) NPY4RNPY5RNPY1RNPY2R
SCHEMBL5598751 0.74 NPY4R (0.52) QRFPRNPY4RNPY5RNPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719779-B1 SUBSTITUTED THIAZOLO [3,2-ALPHA]AZEPINE DERIVATIVE EISAI CO LTD (JP) 2003-11-19 EP disclosed
US-6051705-A HAVING INHIBITORY ACTIVITY AGAINST ANGIOTENSIN I CONVERTING ENZYME AND NEUTRAL ENDPEPTIDASE EISAI CO., LTD. (JP) 2000-04-18 US disclosed
US-5789403-A PEPTIDASE AND ACE ENZYME INHIBITORS EISAI CO., LTD. (JP) 1998-08-04 US disclosed
US-5679671-A ANGIOTENSIN 1-CONVERTING ENZYME INHIBITOR, VASOPRESSIN ANTAGONISM AND ATRIAL NAUTRIURETIC PEPTIDE HYDROLASE INHIBITOR EISAI CO., LTD. (JP) 1997-10-21 US disclosed
EP-0719779-A1 SUBSTITUTED THIAZOLO [3,2-ALPHA]AZEPINE DERIVATIVE Eisai Co., Ltd. (JP) 1996-07-03 EP disclosed
EP-0671172-A1 AMINO ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-09-13 EP disclosed