SCHEMBL7651890

SCHEMBL7651890

CCOC(=O)C(c1ccncc1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.46
KLK7 P49862 2/20 0.43
LTA4H P09960 1/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GCGR P47871 1/20 0.42
ALOX5 P09917 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL2314909 0.90 KLK7 (0.49) KLK7MAPTMEN1KMT2ALMNA
SCHEMBL4534323 0.84 CYP1A2 (0.53) KLK7LMNACYP1A2CYP2C9CYP2C19
SCHEMBL6934292 0.82 LTA4H (0.45) MAPK14LTA4HMAPTMEN1KMT2A
SCHEMBL5705855 0.79 GAA (0.47) MAPK14MAPTMEN1KMT2ALMNA
SCHEMBL27517796 0.78 LTA4H (0.52) LTA4HMEN1KMT2AHDAC3HDAC4
SCHEMBL26606686 0.76 ALDH1A1 (0.36) MAPK14MAPTKMT2ANPSR1NAMPT
SCHEMBL4672007 0.76 LTA4H (0.42) MAPK14LTA4HMAPTMEN1KMT2A
SCHEMBL1772316 0.76 MMP8 (0.51) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL6154370 0.76 MMP8 (0.51) MAPTMEN1KMT2ANPSR1NAMPT
SCHEMBL3541681 0.76 MEN1 (0.49) MEN1KMT2ALMNACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407120-B1 ADMINISTERING PYRIDINYLACETAMIDE OR PHENYLACETAMIDE DERIVATIVE TO TREAT CARDIOVASCULAR, EATING, SEXUAL, BRAIN, NERVOUS SYSTEM, GASTROINTESTINAL, UROGENITAL, PSYCHOLOGICAL, AND RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2002-06-18 US disclosed
EP-1033366-A2 Amide derivatives useful as Neuropeptide Y (NPY) antagonists Pfizer Products Inc. (US) 2000-09-06 EP disclosed