SCHEMBL4661308

SCHEMBL4661308

CN(Cc1ccc(Br)cc1)c1ccccc1CCO

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
PYCR1 P32322 6/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN1 P18031 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAOB P27338 1/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
SLC6A3 Q01959 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL28339089 0.87 TDP1 (0.45) ALDH1A1TAAR1TSHRPTPN1KMT2A
SCHEMBL4662731 0.82 PTPN1 (0.34) ALDH1A1LMNAPTPN1SLC6A2SLC6A4
SCHEMBL4661324 0.81 PTPN1 (0.39) ALDH1A1LMNATSHRL3MBTL1PTPN1
SCHEMBL4664193 0.80 TYMS (0.46) ALDH1A1L3MBTL1PTPN1SMN1; SMN2
SCHEMBL4661452 0.75 CXCL8 (0.36) ALDH1A1LMNATAAR1L3MBTL1MEN1
SCHEMBL4661305 0.73 PYCR1 (0.42) ALDH1A1LMNAPYCR1HTTTSHR
SCHEMBL4661399 0.73 PYCR1 (0.42) ALDH1A1LMNAPYCR1HTTTSHR
SCHEMBL4661493 0.73 HTT (0.35) LMNAHTTSLC6A4SMN1; SMN2KDM4E
SCHEMBL249636 0.73 PTPN1 (0.47) ALDH1A1TAAR1TSHRPTPN1SLC6A2
SCHEMBL13197030 0.72 TSHR (0.45) ALDH1A1LMNATAAR1PYCR1TSHR

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-2007707-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
WO-2007118041-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed