SCHEMBL7940576

SCHEMBL7940576

C=CC=Cc1ccc(NCC)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 3/20 0.39
ADRA2A P08913 6/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7940575 1.00 APP (0.44) APPLMNAMAPTADRA2AADRA2B
SCHEMBL12387901 0.83 MAPT (0.47) APPLMNAMAPTADRA2AADRA2B
SCHEMBL8533249 0.83 MAPT (0.47) APPLMNAMAPTADRA2AADRA2B
SCHEMBL9391329 0.81 ALDH1A1 (0.48) APPLMNAMAPTADRA2AADRA2B
SCHEMBL27619557 0.80 APP (0.44) APPLMNAMAPTADRA2AADRA2B
SCHEMBL5640005 0.79 ALDH1A1 (0.50) APPLMNAMAPTADRA2AADRA2B
SCHEMBL27638404 0.78 APP (0.50) APPLMNAMAPTADRA2AADRA2B
SCHEMBL16614459 0.78 APP (0.72) APP
SCHEMBL8422585 0.76 LMNA (0.53) APPLMNAMAPTADRA2AALDH1A1
SCHEMBL12802293 0.74 THRB (0.46) MAPTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242648-B1 USING THE ULLMANN REACTION; HIGH YIELD, COST REDUCTION ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-05 US disclosed