SCHEMBL1719489

SCHEMBL1719489

Cn1c(-c2cccc(C(F)(F)F)c2)nc(Cl)c1C(=O)N1CCC([C@H](OC(=O)c2ccccc2)C2CCCN2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS7 Q9UKP4 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
MGLL Q99685 3/20 0.36
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
RBP4 P02753 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ADORA1 P30542 1/20 0.34
CSF1R P07333 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
DDR1 Q08345 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL1719101 0.84 MGLL (0.39) MGLLHCRTR1HCRTR2HSD11B1MBTD1
SCHEMBL1719488 0.77 CHRNB2 (0.42) MGLLALDH1A1HSD11B1CNR2
SCHEMBL1718938 0.76 L3MBTL3 (0.44) LMNAPOLBHPGD
SCHEMBL1085181 0.73 MBTD1 (0.44) MBTD1
SCHEMBL28783710 0.72 MGLL (0.40) MGLLCYP2C9CYP2C19ADORA1LMNA
SCHEMBL1718950 0.71 TRPV1 (0.45) MGLLALDH1A1ADORA1
SCHEMBL1718946 0.71 TRPV1 (0.45) MGLLALDH1A1ADORA1
SCHEMBL1719147 0.69 SMN1; SMN2 (0.50) CYP2C9CYP2C19ALDH1A1LMNAPOLB
SCHEMBL1719974 0.67 TRPV4 (0.43) MBTD1
SCHEMBL1420772 0.67 SLC6A3 (0.45) ALDH1A1LMNA

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-2173735-B1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-01-11 EP disclosed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 US disclosed