SCHEMBL29138541

SCHEMBL29138541

COc1ccc(F)cc1CCCO

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.51
SLC6A4 P31645 13/20 0.51
SLC6A3 Q01959 13/20 0.51
TNKS2 Q9H2K2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ADRA1A P35348 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
FDFT1 P37268 1/20 0.41

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
SCHEMBL30669668 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3TNKS2SMN1; SMN2
SCHEMBL18894529 0.89 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3SMN1; SMN2ADRA1A
SCHEMBL19304392 0.84 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3ADRA1ATAAR1
SCHEMBL5833761 0.82 ADRA1A (0.64) MTNR1AMTNR1BADRA1ATAAR1
SCHEMBL11943723 0.81 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3FDFT1
SCHEMBL2908313 0.81 PDE4A (0.50) SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL7433867 0.81 POLB (0.44) TNKS2SMN1; SMN2MTNR1AMTNR1BADRA1A
SCHEMBL6491986 0.81 TNKS2 (0.44) SLC6A2SLC6A4TNKS2MTNR1AMTNR1B
SCHEMBL8996459 0.80 FFAR4 (0.56) SLC6A2SLC6A4SLC6A3SMN1; SMN2MTNR1A
SCHEMBL31295158 0.80 TNKS2 (0.46) TNKS2TAAR1

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-117069720-A 5-HT 2A Receptor agonist, preparation method and application thereof 上海翊石医药科技有限公司 2023-11-17 CN disclosed