SCHEMBL9521673

SCHEMBL9521673

CC(C)([S])CCc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A3 Q01959 2/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
HRH1 P35367 1/20 0.47
HTR2B P41595 1/20 0.47
CHRNA4 P43681 1/20 0.47
AOC3 Q16853 1/20 0.44
MIF P14174 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAOB P27338 1/20 0.41
IDO1 P14902 2/20 0.40
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
KMT2A Q03164 3/20 0.38

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
SCHEMBL9917313 0.82 TAAR1 (0.50) TAAR1SLC6A2SLC6A3HTR2ASLC6A4
SCHEMBL11462574 0.78 ALDH1A1 (0.49) TAAR1SLC6A2SLC6A3HTR2ASLC6A4
SCHEMBL25341473 0.78 ALDH1A1 (0.49) TAAR1SLC6A2SLC6A3HTR2ASLC6A4
SCHEMBL3408632 0.78 SLC6A2 (0.63) TAAR1SLC6A2SLC6A3HTR2ASLC6A4
SCHEMBL8154724 0.74 TAAR1 (0.47) TAAR1SLC6A2SLC6A3HTR2ASLC6A4
SCHEMBL19841922 0.74 SLC6A4 (0.52) TAAR1SLC6A2SLC6A3HTR2ASLC6A4
SCHEMBL23467849 0.74 TAAR1 (0.42) TAAR1SLC6A2SLC6A3HTR2ASLC6A4
SCHEMBL11059680 0.73 TAAR1 (0.50) TAAR1SLC6A2SLC6A3HTR2ASLC6A4
SCHEMBL2135113 0.72 TAAR1 (0.68) TAAR1SLC6A4AOC3MIFMAOB
SCHEMBL24067332 0.72 CNR1 (0.49) TAAR1SLC6A2SLC6A3HTR2ASLC6A4

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
EP-0544819-A4 INDOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS 1993-10-20 EP disclosed
EP-0544819-A1 INDOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1993-06-09 EP disclosed