SCHEMBL29487580

SCHEMBL29487580

COc1ccccc1C1CCC(=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.62
DRD2 P14416 1/20 0.53
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
MAP1LC3B Q9GZQ8 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
USP2 O75604 1/20 0.47
HTR7 P34969 1/20 0.47
POLL Q9UGP5 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TNKS O95271 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46

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
SCHEMBL5290305 1.00 HTR2C (0.62) HTR2CDRD2MEN1KMT2AMAP1LC3B
SCHEMBL26918402 0.95 HTR2C (0.57) HTR2CDRD2MEN1KMT2AMAP1LC3B
SCHEMBL12667873 0.90 ADRA1A (0.55) HTR2CDRD2MEN1KMT2AMAP1LC3B
SCHEMBL30129583 0.90 ADRA1A (0.55) HTR2CDRD2MEN1KMT2AMAP1LC3B
SCHEMBL12635239 0.90 ADRA1A (0.55) HTR2CDRD2MEN1KMT2AMAP1LC3B
SCHEMBL12635245 0.90 ADRA1A (0.55) HTR2CDRD2MEN1KMT2AMAP1LC3B
SCHEMBL1515163 0.85 HTR2C (0.75) HTR2CDRD2MEN1KMT2AMAP1LC3B
SCHEMBL7208759 0.82 PTGDR2 (0.44) HTR2CDRD2MEN1KMT2AADRA1D
SCHEMBL34463201 0.81 HTR2C (0.53) HTR2CDRD2MEN1KMT2AMAP1LC3B
SCHEMBL824116 0.81 HTR2C (0.53) HTR2CDRD2MEN1KMT2AMAP1LC3B

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-114181136-A Substituted piperidine compounds and uses thereof 武田药品工业株式会社 2022-03-15 CN disclosed