SCHEMBL4555482

SCHEMBL4555482

O=C(O)N1CCC(C2CCN(c3cc(Cl)ncn3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.46
KMO O15229 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.39
CHRM4 P08173 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
OGA O60502 1/20 0.36
CYP17A1 P05093 1/20 0.36
BTK Q06187 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
MMP2 P08253 1/20 0.35
ADAMTS5 Q9UNA0 1/20 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
SCHEMBL14138631 0.83 GPR119 (0.49) GPR119KMOLOXL2CHRM4
SCHEMBL3486712 0.81 GPR119 (0.71) GPR119
SCHEMBL31038223 0.81 LMNA (0.58) KMOLOXL2LMNAHTT
SCHEMBL20906079 0.81 LRRK2 (0.41) GPR119KMOLOXL2LMNAHTT
SCHEMBL25197786 0.81 LMNA (0.58) KMOLOXL2LMNAHTT
SCHEMBL4555152 0.80 GPR119 (0.70) GPR119KMOLOXL2CHRM4
SCHEMBL4555141 0.80 GPR119 (0.47) GPR119KMOLOXL2CHRM4
SCHEMBL4434104 0.78 CYP1A2 (0.39) GPR119OGACYP17A1
SCHEMBL8515361 0.78 SMO (0.44) KMOLMNA
SCHEMBL14163270 0.77 SMO (0.46) KMOLMNAHTTOGACYP17A1

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-2121661-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2009-11-25 EP disclosed
WO-2008085316-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-07-17 WO disclosed