SCHEMBL3167752

SCHEMBL3167752

c1ccc2c(c1)Oc1cc(-c3nnn[nH]3)ccc1N2C1CC2CCC(C1)N2

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL13394736 1.00
SCHEMBL13394922 1.00
SCHEMBL3168648 0.87 CHRNB4 (0.33)
SCHEMBL5115349 0.85 PIM1 (0.38)
SCHEMBL3173269 0.81 KDM1A (0.30)
SCHEMBL13394757 0.81 HRH3 (0.39)
SCHEMBL3181359 0.81 HRH3 (0.39)
SCHEMBL13394909 0.81 BRAF (0.35)
SCHEMBL3174246 0.81 BRAF (0.35)
SCHEMBL13394888 0.81 BRAF (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093709-A1 TRICYCLIC DELTA OPIOID MODULATORS COATS STEVEN J 2010-04-15 US claimed
EP-1833826-B1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP claimed
US-7439239-B2 Tricyclic δ- opioid modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-10-21 US claimed
EP-1833826-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP claimed
WO-2006069276-A2 TRICYCLIC ō-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO claimed
US-20060135763-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 US claimed
US-20100093709-A1 TRICYCLIC DELTA OPIOID MODULATORS COATS STEVEN J 2010-04-15 US disclosed
US-7652005-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-26 US disclosed
EP-1833826-B1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP disclosed
US-20090042871-A1 Tricyclic Delta-Opioid Modulators COATS STEVEN J 2009-02-12 US disclosed
US-7439239-B2 Tricyclic δ- opioid modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-10-21 US disclosed
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
US-20060135763-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 US disclosed