SCHEMBL27499331

SCHEMBL27499331

BrCCCCOC1CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
HTR3A P46098 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR4 Q13639 1/20 0.33
HRH1 P35367 1/20 0.31

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
SCHEMBL27528376 0.98 SLC6A2 (0.33) SLC6A2HTR2AHTR2CSLC6A4HTR7
Hydrochloric Acid SCHEMBL5039030 0.96 SLC6A2 (0.32) SLC6A2HTR2AHTR2CSLC6A4HTR7
Hydrochloric Acid SCHEMBL5040217 0.96 SLC6A2 (0.32) SLC6A2HTR2AHTR2CSLC6A4HTR7
Bromide SCHEMBL11399424 0.83 SLC6A2 (0.35) SLC6A2HTR2AHTR2CSLC6A4HTR7
SCHEMBL4798852 0.82 SPHK1 (0.32)
SCHEMBL4326261 0.80 NPC1 (0.43)
SCHEMBL4239877 0.79 GNAO1 (0.43)
SCHEMBL3186641 0.79 SLC6A2 (0.37) SLC6A2HTR2AHTR2CSLC6A4HTR7
SCHEMBL11685291 0.79 SLC6A2 (0.33) SLC6A2HTR2AHTR2CSLC6A4HTR7
SCHEMBL4516905 0.78 NPC1 (0.47)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1231466-C New piperidine derivatives HOFFMANN LA ROCHE (CH) 2005-12-14 CN disclosed
CN-1468220-A New piperidine derivatives - 2004-01-14 CN disclosed