SCHEMBL2665254

SCHEMBL2665254

O=C(Nc1nccs1)C(CCCCCO)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 8/20 0.57
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ MAPT P10636 1/20 0.49
▸ LMNA P02545 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ XBP1 P17861 1/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ CDK5 Q00535 2/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ PLK3 Q9H4B4 2/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ PIK3C2B O00750 1/20 0.43
▸ AURKA O14965 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
SCHEMBL2657079 0.78 FFAR2 (0.72) FFAR2MAPTKCNH2GCK
SCHEMBL2645075 0.78 FFAR2 (0.72) FFAR2MAPTKCNH2GCK
SCHEMBL2645076 0.78 FFAR2 (0.72) FFAR2MAPTKCNH2GCK
SCHEMBL14423127 0.76 FFAR2 (0.57) FFAR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2642059 0.76 FFAR2 (0.57) FFAR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2642244 0.76 FFAR2 (0.59) FFAR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2660251 0.76 FFAR2 (0.59) FFAR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2642146 0.75 FFAR2 (0.56) FFAR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14423133 0.75 FFAR2 (0.56) FFAR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2659463 0.75 FFAR2 (0.67) FFAR2CYP1A2CYP3A4CYP2D6CYP2C9

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-2003095438-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 — — WO disclosed
Send feedback