SCHEMBL28374151

SCHEMBL28374151

CCN(CCc1c[nH]c2cc(Cl)ccc12)C(=O)c1cc(C)ccc1-n1nccn1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.47
HCRTR2 O43614 19/20 0.47
SLC6A4 P31645 1/20 0.42

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
SCHEMBL28370736 0.93 HCRTR1 (0.47) HCRTR1HCRTR2SLC6A4
SCHEMBL28374107 0.90 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL28375766 0.88 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL28375771 0.88 HTR6 (0.48) HCRTR1HCRTR2
SCHEMBL28370934 0.84 HCRTR1 (0.53) HCRTR1HCRTR2SLC6A4
SCHEMBL28370216 0.83 HCRTR2 (0.53) HCRTR1HCRTR2SLC6A4
SCHEMBL28370936 0.81 PTGS1 (0.52)
SCHEMBL28370390 0.77 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL15338611 0.76 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL28370626 0.76 HTR6 (0.46) HCRTR1HCRTR2

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
CN-106986859-B Indole derivatives and uses thereof 广东东阳光药业有限公司 2020-02-11 CN disclosed