SCHEMBL29237347

SCHEMBL29237347

COC(=O)C1CN(c2cccc(I)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
NOTUM Q6P988 5/20 0.42
NAMPT P43490 1/20 0.40
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
PDK2 Q15119 1/20 0.37
MAPT P10636 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL30217172 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3NOTUMNAMPT
SCHEMBL25983414 0.84 NOTUM (0.59) NOTUMMAPT
SCHEMBL18580977 0.82 SLC6A4 (0.42) SLC6A4SLC6A3NOTUMNAMPTMGLL
SCHEMBL17034093 0.81 NOTUM (0.54) NOTUMFAAHMGLL
SCHEMBL25603132 0.81 NOTUM (0.53) SLC6A2SLC6A4SLC6A3NOTUMNAMPT
SCHEMBL29472085 0.78 MTNR1A (0.39) SLC6A2SLC6A4SLC6A3NOTUMFAAH
SCHEMBL22715849 0.78 MTNR1A (0.39) SLC6A2SLC6A4SLC6A3NOTUMFAAH
SCHEMBL29237344 0.76 PIK3CG (0.41) NOTUMNAMPTPDK2MAPTMTNR1A
SCHEMBL18580721 0.76 RXRA (0.44) NOTUMNR1H2NR1H3
SCHEMBL18580649 0.75 RXRB (0.46) NOTUMNAMPTNR1H2NR1H3

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-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 CN disclosed