SCHEMBL14138641

SCHEMBL14138641

Bc1cnc(N2CCC(C3CCN(c4nc(C)ncc4Cl)CC3)CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.41
KCNH2 Q12809 2/20 0.41
HCRTR2 O43614 1/20 0.40
SMO Q99835 4/20 0.37
ACACB O00763 8/20 0.35
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
SCD O00767 1/20 0.32

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
SCHEMBL926275 0.90 GPR119 (0.51) GPR119KCNH2HCRTR2SMOMKNK1
SCHEMBL3623896 0.87 GPR119 (0.41) GPR119KCNH2HCRTR2SMOMKNK1
SCHEMBL3617071 0.87 GPR119 (0.41) GPR119KCNH2HCRTR2SMOACACB
SCHEMBL10316045 0.87 HCRTR2 (0.46) GPR119KCNH2HCRTR2SMO
SCHEMBL10316044 0.76 GPR119 (0.48) GPR119HCRTR2
SCHEMBL3622680 0.76 GPR119 (0.53) GPR119KCNH2HCRTR2SMO
SCHEMBL3627148 0.74 GPR119 (0.51) GPR119KCNH2HCRTR2SMO
SCHEMBL3486741 0.74 KDM4E (0.47) GPR119KCNH2ACACB
SCHEMBL3625073 0.72 KDM4E (0.45) GPR119KCNH2ACACBABL1BCR
SCHEMBL3486398 0.72 GPR119 (0.58) GPR119HCRTR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008085316-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-07-17 WO disclosed