SCHEMBL8019124

SCHEMBL8019124

CN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1.CN1CC=C(c2c[nH]c3ccc(C=O)cc23)CC1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.81

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
SCHEMBL7804263 0.93 SLC6A4 (0.71) SLC6A4
SCHEMBL1275594 0.90 SLC6A4 (1.00) SLC6A4
SCHEMBL4671416 0.81 SLC6A4 (0.81) SLC6A4
SCHEMBL9873581 0.79 SLC6A4 (0.63) SLC6A4
SCHEMBL9873596 0.79 SLC6A4 (0.63) SLC6A4
SCHEMBL7804430 0.78 SLC6A4 (0.60) SLC6A4
SCHEMBL7804431 0.78 SLC6A4 (0.60) SLC6A4
SCHEMBL7482999 0.78 SLC6A4 (0.61) SLC6A4
SCHEMBL7483003 0.78 SLC6A4 (0.61) SLC6A4
SCHEMBL13323539 0.78 SLC6A4 (1.00) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed