SCHEMBL6178086

SCHEMBL6178086

C[C@@H]1CNCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
HTR2C P28335 7/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HTR2A P28223 4/20 0.35
HTR2B P41595 4/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL6178088 1.00 ALDH1A1 (0.38) ALDH1A1HTTHTR2CSLC6A2SLC6A4
SCHEMBL4439803 0.84 HTR2C (0.35) ALDH1A1HTTHTR2CSLC6A2SLC6A4
SCHEMBL27769842 0.81 SLC6A2 (0.43) ALDH1A1HTTSLC6A2SLC6A4SLC6A3
SCHEMBL8290753 0.74 L3MBTL1 (0.38) SIGMAR1CHRM2CHRM1CHRM3LMNA
SCHEMBL31376861 0.74 L3MBTL1 (0.38) SIGMAR1CHRM2CHRM1CHRM3LMNA
SCHEMBL29271953 0.71 ALDH1A1 (0.35) ALDH1A1HTTMEN1LMNAKMT2A
SCHEMBL29271950 0.71 ALDH1A1 (0.35) ALDH1A1HTTMEN1LMNAKMT2A
SCHEMBL1028438 0.70 SLC6A2 (0.57) HTR2CSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL17884678 0.70 SLC6A2 (0.57) HTR2CSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL17884836 0.70 SLC6A2 (0.57) HTR2CSLC6A2SLC6A4SLC6A3HTR2A

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-1529043-A1 NOVEL PROCESS Biovitrum AB (SE) 2005-05-11 EP claimed
WO-2004000829-A1 NOVEL PROCESS BIOVITRUM AB (SE) 2003-12-31 WO claimed