SCHEMBL30839288

SCHEMBL30839288

COc1ccc2c(ccn2C[C@@H](C)N2CCN(C)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.61
▸ PRMT5 O14744 8/20 0.56
▸ HTR7 P34969 2/20 0.49
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ HTR2A P28223 4/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL29162335 1.00 HTR2C (0.61) HTR2CPRMT5HTR7MTNR1AMTNR1B
SCHEMBL30839305 1.00 HTR2C (0.61) HTR2CPRMT5HTR7MTNR1AMTNR1B
SCHEMBL29162331 1.00 HTR2C (0.61) HTR2CPRMT5HTR7MTNR1AMTNR1B
Fumaric Acid SCHEMBL29162364 0.90 HTR2C (0.51) HTR2CPRMT5HTR7MTNR1AMTNR1B
SCHEMBL29162343 0.90 HTR2C (0.64) HTR2CPRMT5HTR7MTNR1AMTNR1B
SCHEMBL30839301 0.90 HTR2C (0.64) HTR2CPRMT5HTR7MTNR1AMTNR1B
SCHEMBL30839313 0.90 HTR2C (0.64) HTR2CPRMT5HTR7MTNR1AMTNR1B
SCHEMBL25822817 0.90 HTR2C (0.64) HTR2CPRMT5HTR7MTNR1AMTNR1B
SCHEMBL29162339 0.90 HTR2C (0.64) HTR2CPRMT5HTR7MTNR1AMTNR1B
SCHEMBL29162369 0.88 HTR2C (0.63) HTR2CPRMT5HTR7MTNR1AMTNR1B

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-117586171-A Indole derivative, pharmaceutical composition and application thereof in central nervous field 长春金赛药业有限责任公司 2024-02-23 — — CN disclosed
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