SCHEMBL7780034

SCHEMBL7780034

CN(CCN1CCCC1)[C@H]1CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
XBP1 P17861 1/20 0.49
HTT P42858 1/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
SIGMAR1 Q99720 5/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 1/20 0.44
HRH3 Q9Y5N1 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
SCHEMBL13209092 0.81 ALDH1A1 (0.58) ALDH1A1XBP1HTTMAOAMAOB
Hydrochloric Acid SCHEMBL7328177 0.80 HTT (0.53) ALDH1A1XBP1HTTMAOAMAOB
SCHEMBL7550905 0.79 SIGMAR1 (0.41) SIGMAR1HRH3
SCHEMBL12124859 0.78 HTT (0.57) ALDH1A1XBP1HTTMAOAMAOB
SCHEMBL12124861 0.78 HTT (0.57) ALDH1A1XBP1HTTMAOAMAOB
SCHEMBL12124857 0.78 HTT (0.57) ALDH1A1XBP1HTTMAOAMAOB
SCHEMBL7505642 0.78 HRH3 (0.41) SIGMAR1HRH3
SCHEMBL14528375 0.78 ALDH1A1 (0.51) ALDH1A1XBP1HTTMAOAMAOB
SCHEMBL13209098 0.78 ALDH1A1 (0.51) ALDH1A1XBP1HTTMAOAMAOB
SCHEMBL13034225 0.76 ALDH1A1 (0.47) ALDH1A1XBP1HTTMAOAMAOB

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-1140852-A1 1,2,3,4-TETRAHYDRONAPHTHALENES AND THEIR PHARAMACEUTICAL USE AstraZeneca AB (SE) 2001-10-10 EP claimed
WO-2000035882-A1 1,2,3,4-TETRAHYDRONAPHTHALENES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2000-06-22 WO claimed