SCHEMBL7380979

SCHEMBL7380979

Cc1ccccc1C1NCCO1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.46
HTR2B P41595 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
ADRA1A P35348 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.38
CHRNA7 P36544 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
KDM1A O60341 1/20 0.36
GLA P06280 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL218212 0.86 SLC6A2 (0.46) HTR2BSLC6A2SLC6A3ADRA1AALDH1A1
SCHEMBL19066793 0.81 SLC6A2 (0.42) HTR2BSLC6A2SLC6A3ADRA1AALDH1A1
SCHEMBL7220765 0.78 SLC6A2 (0.40) HTR2BSLC6A2SLC6A3ADRA1AALDH1A1
SCHEMBL3655084 0.78 HTR2B (0.40) HTR2CHTR2BSLC6A2SLC6A3ADRA1A
SCHEMBL11493571 0.78 SLC6A2 (0.40) HTR2BSLC6A2SLC6A3ADRA1AALDH1A1
SCHEMBL12155157 0.77 ALDH1A1 (0.56) HTR2CHTR2BSLC6A2SLC6A3ADRA1A
SCHEMBL10791720 0.75 KDM1A (0.43) HTR2BSLC6A2SLC6A3ADRA1AALDH1A1
SCHEMBL7638483 0.75 ADRA2A (0.43) HTR2BSLC6A2SLC6A3ADRA1AALDH1A1
SCHEMBL2257666 0.72 SLC6A2 (0.58) HTR2BSLC6A2SLC6A3ADRA1AALDH1A1
SCHEMBL460150 0.72 SLC6A2 (0.58) HTR2BSLC6A2SLC6A3ADRA1AALDH1A1

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-101309690-A Chemokine receptor binding compounds ANORMED INC (CA) 2008-11-19 CN disclosed
WO-2000076484-A1 PHARMACEUTICAL PREPARATION WITH DELAYED RELEASE OF AN ACTIVE SUBSTANCE SCHERING AKTIENGESELLSCHAFT (DE) 2000-12-21 WO disclosed