SCHEMBL8545690

SCHEMBL8545690

N#Cc1ccc2[nH]cc(CCCCBr)c2c1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.67
HTR1A P08908 2/20 0.53

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
SCHEMBL5791054 0.96 SLC6A4 (0.69) SLC6A4HTR1A
SCHEMBL30320095 0.96 SLC6A4 (0.69) SLC6A4HTR1A
SCHEMBL25244606 0.90 SLC6A4 (0.64) SLC6A4
SCHEMBL29441818 0.86 SLC6A4 (0.67) SLC6A4HTR1A
SCHEMBL29499049 0.86 SLC6A4 (0.67) SLC6A4HTR1A
SCHEMBL27859575 0.86 SLC6A4 (0.67) SLC6A4HTR1A
SCHEMBL12527430 0.86 SLC6A4 (0.67) SLC6A4HTR1A
SCHEMBL4833994 0.86 SLC6A4 (0.67) SLC6A4HTR1A
SCHEMBL3103671 0.86 SLC6A4 (0.67) SLC6A4HTR1A
SCHEMBL3082624 0.86 SLC6A4 (0.67) SLC6A4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496222-B1 Indole derivatives MERCK PATENT GMBH (DE) 1998-09-09 EP disclosed
US-5418237-A Indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-05-23 US disclosed
EP-0496222-A1 Indole derivatives MERCK PATENT GmbH (DE) 1992-07-29 EP disclosed