SCHEMBL6963887

SCHEMBL6963887

Cc1oc(-c2ccc3ccccc3c2)nc1COc1ccc(CCCC#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.54
PPARG P37231 7/20 0.48
PPARA Q07869 7/20 0.48
KDR P35968 1/20 0.46
MAPT P10636 3/20 0.45
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
CYP2C9 P11712 1/20 0.43
KCNH2 Q12809 1/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6965302 0.96 FFAR1 (0.52) FFAR1PPARGPPARAKDRMAPT
SCHEMBL6959746 0.90 FFAR1 (0.67) FFAR1PPARGPPARAKDRMAPT
SCHEMBL6972841 0.85 FFAR1 (0.58) FFAR1PPARGPPARAKDRMAPT
SCHEMBL6967639 0.84 FFAR1 (0.48) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4029049 0.82 KDR (0.64) FFAR1PPARGPPARAKDRMAPT
SCHEMBL7162113 0.82 FFAR1 (0.54) FFAR1PPARGPPARAKDRMAPT
SCHEMBL6957652 0.81 FFAR1 (0.51) FFAR1PPARGPPARAKDRMAPT
SCHEMBL6970759 0.81 FFAR1 (0.61) FFAR1PPARGPPARAMAPTPOLB
SCHEMBL6960613 0.81 FFAR1 (0.48) FFAR1PPARGPPARAKDRMAPT
SCHEMBL8845954 0.80 FFAR1 (0.50) FFAR1PPARGPPARAKDRMAPT

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-0629624-B1 Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-04-23 EP disclosed
US-5591862-A ANTILIPEMICS, TREATING DIABETES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0629624-A1 Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-21 EP disclosed