SCHEMBL8108155

SCHEMBL8108155

CCOC(=O)N1C2C=C(c3ccc4ccccc4c3)CC1CC2

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.44
HTR1A P08908 2/20 0.44
SLC6A3 Q01959 6/20 0.42
SLC6A2 P23975 3/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 1/20 0.39

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
SCHEMBL8108159 1.00 SLC6A4 (0.44) SLC6A4HTR1ASLC6A3SLC6A2KDM4E
SCHEMBL14081576 0.86 SLC6A2 (0.46) SLC6A4SLC6A3SLC6A2KDM4EALDH1A1
SCHEMBL7464844 0.83 CA12 (0.38) SLC6A4SLC6A3SLC6A2LMNAHTT
SCHEMBL7464836 0.83 CA12 (0.38) SLC6A4SLC6A3SLC6A2LMNAHTT
SCHEMBL1021480 0.76 SLC6A3 (0.68) SLC6A4HTR1ASLC6A3SLC6A2
SCHEMBL1021477 0.76 SLC6A3 (0.68) SLC6A4HTR1ASLC6A3SLC6A2
SCHEMBL6573612 0.74 HTR1A (0.52) SLC6A4HTR1ASLC6A3SLC6A2
Trifluoroacetic Acid SCHEMBL8108321 0.73 SLC6A4 (0.58) SLC6A4HTR1ASLC6A3SLC6A2
SCHEMBL6574406 0.73 HTR1A (0.57) SLC6A4HTR1ASLC6A3SLC6A2
SCHEMBL6574408 0.73 HTR1A (0.57) SLC6A4HTR1ASLC6A3SLC6A2

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