SCHEMBL5226574

SCHEMBL5226574

CC(C)(C)OC(=O)N1C2CCC1C(=O)C(N1c3ccccc3Oc3cc(Cl)ccc31)C2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
GPR119 Q8TDV5 3/20 0.36
PGR P06401 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KCNK3 O14649 2/20 0.34
KCNK9 Q9NPC2 2/20 0.34
P2RX4 Q99571 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5215067 0.88 TNF (0.36) UTS2RCHRM2CHRM1CHRM3GPR119
SCHEMBL3168161 0.87 CHRM2 (0.43) UTS2RCHRM2CHRM1CHRM3GPR119
SCHEMBL3183784 0.87 CHRM2 (0.43) UTS2RCHRM2CHRM1CHRM3GPR119
SCHEMBL3176038 0.87 CHRM2 (0.43) UTS2RCHRM2CHRM1CHRM3GPR119
SCHEMBL5112850 0.78 MEN1 (0.46) UTS2RGPR119MEN1KMT2A
SCHEMBL3173426 0.74 GPR119 (0.39) CHRM2CHRM1CHRM3GPR119MEN1
SCHEMBL3173421 0.74 GPR119 (0.39) CHRM2CHRM1CHRM3GPR119MEN1
SCHEMBL3168339 0.74 CHRM2 (0.41) CHRM2CHRM1CHRM3GPR119P2RX4
SCHEMBL3168332 0.74 CHRM2 (0.41) CHRM2CHRM1CHRM3GPR119P2RX4
SCHEMBL3184310 0.73 GPR119 (0.49) CHRM2CHRM1CHRM3GPR119

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-1833826-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP disclosed
WO-2006069276-A2 TRICYCLIC ō-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed