SCHEMBL22728591

SCHEMBL22728591

CC(C)(C)OC(=O)N1CC2CN(c3ccc4ccccc4c3)CC2C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.51
GPR119 Q8TDV5 10/20 0.49
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OGFRL1 Q5TC84 1/20 0.44
LIPE Q05469 2/20 0.43
NR1H2 P55055 1/20 0.43
PDK2 Q15119 1/20 0.43
NAMPT P43490 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
AKR1C3 P42330 1/20 0.41

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
SCHEMBL15596306 0.84 GPR119 (0.67) PDE10AGPR119OPRM1OPRD1OPRK1
SCHEMBL10111733 0.84 GPR119 (0.67) PDE10AGPR119OPRM1OPRD1OPRK1
SCHEMBL928382 0.82 GPR119 (0.53) PDE10AGPR119NR1H2
SCHEMBL652572 0.82 PDE10A (0.54) PDE10AGPR119OPRM1OPRD1OPRK1
SCHEMBL652571 0.82 PDE10A (0.54) PDE10AGPR119OPRM1OPRD1OPRK1
SCHEMBL3541614 0.81 JAK1 (0.47) GPR119NR1H2KCNK3KCNK9
SCHEMBL25591596 0.81 MAPT (0.50) GPR119LIPENR1H2
SCHEMBL20511423 0.81 GPR119 (0.70) PDE10AGPR119NR1H2
SCHEMBL20511395 0.81 ALDH1A1 (0.52) GPR119LIPENR1H2
SCHEMBL20511076 0.80 GPR119 (0.67) PDE10AGPR119LIPENR1H2

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-2020239073-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2020-12-03 WO disclosed