SCHEMBL8106540

SCHEMBL8106540

CN1C2CCC1CC(c1ccc3ccccc3c1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.54
DRD2 P14416 1/20 0.54
SLC6A3 Q01959 8/20 0.51
SLC6A2 P23975 6/20 0.46
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL6553549 0.83 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2
SCHEMBL6553551 0.83 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2
SCHEMBL6577183 0.80 OPRM1 (0.48) SLC6A4DRD2SLC6A3
SCHEMBL6575266 0.80 SLC6A4 (0.48) SLC6A4DRD2SLC6A3SLC6A2
SCHEMBL6553215 0.79 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2
SCHEMBL4576760 0.79 SLC6A4 (0.45) SLC6A4DRD2SLC6A3SLC6A2KDM4E
SCHEMBL1721954 0.78 SLC6A2 (0.55) SLC6A4DRD2SLC6A3SLC6A2
SCHEMBL633352 0.78 SLC6A2 (0.55) SLC6A4DRD2SLC6A3SLC6A2
SCHEMBL633351 0.78 SLC6A2 (0.55) SLC6A4DRD2SLC6A3SLC6A2
SCHEMBL5830115 0.77 SLC6A4 (0.39) SLC6A4DRD2SLC6A3SLC6A2

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
US-6107307-A PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY (US) 2000-08-22 US disclosed
EP-0969005-A1 Azabicyclic inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 2000-01-05 EP disclosed