SCHEMBL9974175

SCHEMBL9974175

O=C(O)N1CCC(C2Cc3cc(Cl)ncc3O2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.40
SIGMAR1 Q99720 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL9974154 0.85 GPR119 (0.40) GPR119SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL9937022 0.84 GPR119 (0.49) GPR119
SCHEMBL9936855 0.78 CHRNB2 (0.37) GPR119
SCHEMBL15007877 0.77 GPR119 (0.48) GPR119
SCHEMBL17707522 0.73 GPR119 (0.72) GPR119
SCHEMBL17707519 0.73 GPR119 (0.72) GPR119
SCHEMBL14316412 0.70 GPR119 (0.45) GPR119
SCHEMBL9935783 0.70 GPR119 (0.48) GPR119
SCHEMBL4555482 0.66 GPR119 (0.46) GPR119CHRM2CHRM4CHRM5CHRM1
SCHEMBL2595921 0.66 KMT2A (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3

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
WO-2013083775-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 WO disclosed
WO-2012080476-A1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO disclosed