SCHEMBL5792372

SCHEMBL5792372

CCCCN(F)c1c[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HTR2A P28223 2/20 0.44
HTR1A P08908 2/20 0.44
SLC6A4 P31645 1/20 0.44
HTR6 P50406 1/20 0.44
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
BCHE P06276 3/20 0.43
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GPR84 Q9NQS5 2/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL5260586 0.79 NPC1 (0.47) NPC1SMN1; SMN2LMNANPSR1HTR2A
SCHEMBL14399666 0.77 HTR2A (0.53) NPC1LMNANPSR1HTR2AHTR1A
SCHEMBL4982358 0.73 MEN1 (0.54) NPC1LMNANPSR1HTR2AHTR1A
SCHEMBL6608957 0.73 NPC1 (0.42) NPC1SMN1; SMN2LMNANPSR1HTR2A
SCHEMBL14921847 0.71 OPRM1 (0.55) NPC1SMN1; SMN2LMNANPSR1HTR2A
SCHEMBL6608825 0.71 NPC1 (0.41) NPC1SMN1; SMN2LMNANPSR1HTR2A
SCHEMBL31518326 0.71 LMNA (0.64) NPC1SMN1; SMN2LMNAHTR2AHTR1A
SCHEMBL20970873 0.71 HTR6 (0.75) NPC1SMN1; SMN2HTR2AHTR1ASLC6A4
SCHEMBL29633016 0.71 HTR6 (0.75) NPC1SMN1; SMN2HTR2AHTR1ASLC6A4
SCHEMBL10617441 0.71 MEN1 (0.58) NPC1LMNANPSR1MAPTMEN1

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-1651637-A1 3-AMINO CHROMAN AND 2-AMINO TETRALIN DERIVATIVES Wyeth (US) 2006-05-03 EP disclosed
WO-2005012291-A1 3-AMINO CHOMAN AND 2-AMINO TETRALIN DERIVATIVES WYETH (US) 2005-02-10 WO disclosed