SCHEMBL288498

SCHEMBL288498

COc1c(Cl)ncnc1OC1CCCCN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.34
FKBP1A P62942 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.33
KCNH2 Q12809 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 2/20 0.31
KMO O15229 1/20 0.31
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
CUL4A Q13619 1/20 0.31
TBK1 Q9UHD2 1/20 0.30
OPRK1 P41145 1/20 0.30
FAAH O00519 1/20 0.30
DHODH Q02127 1/20 0.30

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
SCHEMBL288924 0.86 GPR119 (0.33) KMT2AGPR119MAPTHPGDTSHR
SCHEMBL288499 0.77 GPR119 (0.41) ACACBCYP2C9KCNH2GPR119
SCHEMBL288623 0.74 S1PR1 (0.36) KMT2ACYP2C9HCRTR1HPGDKMO
SCHEMBL290305 0.72 GPR119 (0.45) CYP2C9GPR119
SCHEMBL13357777 0.71 GPR119 (0.48) CYP2C9KCNH2GPR119
SCHEMBL288503 0.70 GPR119 (0.57) CYP2C9KCNH2GPR119
SCHEMBL3240385 0.70 PIK3CD (0.53) GPR119
SCHEMBL3258302 0.69 GPR119 (0.47) CYP2C9KCNH2GPR119
SCHEMBL12281328 0.69 ACACB (0.36) ACACBCYP2C9KCNH2GPR119
SCHEMBL1936699 0.67 GAA (0.37) FKBP1AHPGD

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-2427450-A1 GPR 119 MODULATORS Pfizer Inc. (US) 2012-03-14 EP disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed