SCHEMBL2716581

SCHEMBL2716581

O=S1OCC(c2ccccc2OCCCOC2CCN(c3ncccn3)CC2)CO1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.36
ADRA1A P35348 5/20 0.36
ADRA1B P35368 5/20 0.36
KDM4E B2RXH2 2/20 0.35
HCRTR2 O43614 2/20 0.35
SCD O00767 3/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 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
SCHEMBL3700389 0.83 DRD2 (0.39) KDM4EALDH1A1
SCHEMBL3703112 0.83 DRD2 (0.39) KDM4EALDH1A1
SCHEMBL3700392 0.83 DRD2 (0.39) KDM4EALDH1A1
SCHEMBL2730166 0.76 GPR119 (0.45)
SCHEMBL2728781 0.69 GPR119 (0.42)
SCHEMBL2732558 0.67 GPR119 (0.54)
SCHEMBL23461712 0.66 KDM4E (0.49) KDM4EHCRTR2ALDH1A1HPGD
SCHEMBL2729792 0.63 DRD2 (0.38) KDM4EHCRTR2ALDH1A1
SCHEMBL3699548 0.63 GPR119 (0.41)
SCHEMBL2730168 0.63 GPR119 (0.41)

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-2445904-A1 NOVEL GPR 119 AGONISTS Cadila Healthcare Limited (IN) 2012-05-02 EP disclosed
WO-2010146605-A1 NOVEL GPR 119 AGONISTS CADILA HEALTHCARE LIMITED (IN) 2010-12-23 WO disclosed