SCHEMBL6551982

SCHEMBL6551982

CN1C2C=C(c3ccc4ccc(I)cc4c3)CC1CC2

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.56
SLC6A2 P23975 5/20 0.56
SLC6A3 Q01959 5/20 0.56
HTR6 P50406 1/20 0.40
HTR1A P08908 1/20 0.38

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
SCHEMBL5829700 1.00 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3HTR6HTR1A
SCHEMBL6549022 0.96 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3HTR6HTR1A
SCHEMBL5829646 0.96 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3HTR6HTR1A
SCHEMBL1021477 0.85 SLC6A3 (0.68) SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL1021480 0.85 SLC6A3 (0.68) SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL6553255 0.84 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3HTR6HTR1A
SCHEMBL6552082 0.84 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3HTR6HTR1A
SCHEMBL5830141 0.84 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3HTR6HTR1A
SCHEMBL5829453 0.84 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3HTR6HTR1A
SCHEMBL5829797 0.84 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3HTR6HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133494-B1 8-AZABICYCLO 3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH AS (DK) 2004-02-18 EP claimed
EP-1133494-A1 8-AZABICYCLO 3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2001-09-19 EP claimed
WO-2000032600-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2000-06-08 WO claimed
EP-1133494-A1 8-AZABICYCLO 3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2001-09-19 EP disclosed
WO-2000032600-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2000-06-08 WO disclosed