SCHEMBL8328873

SCHEMBL8328873

CC(C)(C)OC(=O)N1C[C@H]2Cc3cc4ccccc4n3C[C@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.43
OPRK1 P41145 2/20 0.43
OGFRL1 Q5TC84 2/20 0.43
OPRD1 P41143 1/20 0.43
PDE10A Q9Y233 2/20 0.43
GPR119 Q8TDV5 1/20 0.42
NR1H2 P55055 3/20 0.41
SIGMAR1 Q99720 1/20 0.41
NAMPT P43490 1/20 0.41
KCNK3 O14649 3/20 0.40
KCNK9 Q9NPC2 3/20 0.40
RORC P51449 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
POLR1A O95602 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL8321104 1.00 OPRM1 (0.43) OPRM1OPRK1OGFRL1OPRD1PDE10A
SCHEMBL8321106 1.00 OPRM1 (0.43) OPRM1OPRK1OGFRL1OPRD1PDE10A
SCHEMBL615033 0.77 SIGMAR1 (0.63) NR1H2SIGMAR1
SCHEMBL6715677 0.76 HTR2A (0.53) GPR119NR1H2SIGMAR1CHRM2CHRM4
SCHEMBL22728591 0.73 PDE10A (0.51) OPRM1OPRK1OGFRL1OPRD1PDE10A
SCHEMBL8653934 0.72 KMT2A (0.46) OPRM1OPRK1OGFRL1OPRD1PDE10A
SCHEMBL14746435 0.71 CHRNB2 (0.55) GPR119NR1H2NAMPTRORCJAK2
SCHEMBL15596306 0.71 GPR119 (0.67) OPRM1OPRK1OGFRL1OPRD1PDE10A
SCHEMBL10111733 0.71 GPR119 (0.67) OPRM1OPRK1OGFRL1OPRD1PDE10A
SCHEMBL17953049 0.71 CHRNB2 (0.55) GPR119NR1H2NAMPTRORCJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470490-B1 Substituted pyrroles HOFFMANN LA ROCHE (CH) 1999-05-06 EP disclosed
US-5292747-A Substituted pyrroles HOFFMAN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0470490-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1992-02-12 EP disclosed