SCHEMBL5044687

SCHEMBL5044687

O=C(O)N1C2CCC1CC(Oc1ccc(Cl)c(Cl)n1)C2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 10/20 0.44
▸ OPRK1 P41145 6/20 0.40
▸ GPR119 Q8TDV5 3/20 0.33
▸ GPR65 Q8IYL9 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ STS P08842 2/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ HTR3E A5X5Y0 1/20 0.32
▸ HTR3B O95264 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ HTR3D Q70Z44 1/20 0.32
▸ HTR3C Q8WXA8 1/20 0.32
▸ DGAT1 O75907 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
SCHEMBL1029854 0.83 GPR119 (0.50) KCNH2GPR119
SCHEMBL5038361 0.82 KCNH2 (0.43) KCNH2OPRK1GPR119SLC6A2SLC6A3
SCHEMBL20958488 0.78 KCNH2 (0.46) KCNH2OPRK1HTR3EHTR3BHTR3A
SCHEMBL20958487 0.78 KCNH2 (0.46) KCNH2OPRK1HTR3EHTR3BHTR3A
SCHEMBL20958489 0.78 KCNH2 (0.46) KCNH2OPRK1HTR3EHTR3BHTR3A
SCHEMBL12076980 0.75 KCNH2 (0.51) KCNH2OPRK1GPR119LMNACYP2D6
SCHEMBL12076981 0.75 KCNH2 (0.51) KCNH2OPRK1GPR119LMNACYP2D6
SCHEMBL25173818 0.75 KCNH2 (0.38) KCNH2OPRK1GPR119LMNACYP2D6
SCHEMBL20958512 0.75 KCNH2 (0.38) KCNH2OPRK1GPR119SLC6A2SLC6A3
SCHEMBL25173819 0.75 KCNH2 (0.38) KCNH2OPRK1GPR119LMNACYP2D6

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-1957493-A1 8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS N.V. Organon (NL) 2008-08-20 — — EP disclosed
WO-2007063071-A1 8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS N.V. ORGANON (NL) 2007-06-07 — — WO disclosed
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