SCHEMBL1721058

SCHEMBL1721058

CC(CCC1CCN(c2ncc(Cl)cn2)CC1)Oc1cnc(Cl)nc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 1/20 0.39
SIGMAR1 Q99720 4/20 0.38
GPR119 Q8TDV5 10/20 0.37
ACACB O00763 3/20 0.36
KCNH2 Q12809 6/20 0.35

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
SCHEMBL470849 0.80 GPR119 (0.41) GPR119ACACBKCNH2
SCHEMBL121187 0.79 GPR119 (0.49) CHRM2CHRM1CHRM3GPR119ACACB
SCHEMBL1721013 0.76 GPR119 (0.49) GPR119
SCHEMBL121128 0.75 SIGMAR1 (0.39) SIGMAR1GPR119ACACBKCNH2
SCHEMBL148369 0.75 SIGMAR1 (0.39) SIGMAR1GPR119ACACBKCNH2
SCHEMBL2556222 0.74 GPR119 (0.46) CHRM2CHRM1CHRM3GPR119KCNH2
SCHEMBL470645 0.72 GPR119 (0.40) GPR119ACACB
SCHEMBL19438390 0.71 GPR119 (0.43) CHRM2CHRM1CHRM3GPR119KCNH2
SCHEMBL27846279 0.71 GPR119 (0.46) CHRM2CHRM1CHRM3GPR119KCNH2
SCHEMBL24437526 0.71 GPR119 (0.48) CHRM2CHRM1CHRM3GPR119KCNH2

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-2406251-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
WO-2010103334-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed