SCHEMBL5507708

SCHEMBL5507708

N#Cc1cc(O)c2c(c1)Sc1ccccc1N2C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
ACHE P22303 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPT P10636 2/20 0.38
KDM1A O60341 2/20 0.34

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
SCHEMBL5508467 0.87 CHRM2 (0.43) LMNAPGRCHRM2HTR1AADRA2A
SCHEMBL5506174 0.84 KDM1A (0.35) SLC6A3KDM1AHTR2AHTR2CBCHE
SCHEMBL5119926 0.82 SLC6A2 (0.46) LMNAPGRCHRM2HTR1AADRA2A
SCHEMBL5503886 0.79 CHRM1 (0.41) LMNAPGRCHRM2HTR1AADRA2A
SCHEMBL5505023 0.77 PIM1 (0.39) LMNAMAPK1MAPTIKBKBHTR2A
SCHEMBL12537100 0.77 KDM1A (0.47) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL38663158 0.77 KDM1A (0.47) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL5507974 0.77 MKNK1 (0.36) MAPTKDM1A
SCHEMBL5514484 0.76 KDM1A (0.30) KDM1A
SCHEMBL3168391 0.69 PIM1 (0.41) ADRA2ASLC6A2SLC6A4DRD3SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846400-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP claimed
WO-2006074388-A2 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO claimed
EP-1846400-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP disclosed
WO-2006074388-A2 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO disclosed