SCHEMBL289516

SCHEMBL289516

N#Cc1cccc(CN2C(=O)CCC2(I)C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
FEN1 P39748 1/20 0.43
CCR2 P41597 1/20 0.42
LMNA P02545 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
CCR3 P51677 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRM3 P20309 1/20 0.39
PARG Q86W56 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ADRA1D P25100 1/20 0.39
ALDH1A1 P00352 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
PTGER4 P35408 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
SCHEMBL4460381 0.82 HCRTR1 (0.41) L3MBTL1ALDH1A1
SCHEMBL290017 0.81 KMT2A (0.43) FAAHFEN1L3MBTL1ALDH1A1PTGER4
SCHEMBL288186 0.79 SMN1; SMN2 (0.46) FAAHFEN1LMNAALDH1A1PTGER4
SCHEMBL288654 0.70 GYS1 (0.50) FAAHFEN1CCR2SIRT2SIRT1
SCHEMBL1613572 0.70 GYS1 (0.50) FAAHFEN1CCR2SIRT2SIRT1
SCHEMBL7364966 0.70 L3MBTL1 (0.47) FAAHCCR2L3MBTL1PARGCYP19A1
SCHEMBL7424115 0.68 L3MBTL1 (0.54) FAAHSIRT2SIRT1L3MBTL1CYP19A1
SCHEMBL29809178 0.68 L3MBTL1 (0.54) FAAHSIRT2SIRT1L3MBTL1CYP19A1
SCHEMBL8443442 0.68 CCR2 (0.56) FAAHFEN1CCR2LMNAFFAR1
SCHEMBL3903191 0.68 FAAH (0.53) FAAHFEN1CCR2SIRT2SIRT1

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
EP-2427429-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS Abbott GmbH & Co. KG (DE) 2012-03-14 EP disclosed
WO-2010128102-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-11-11 WO disclosed