SCHEMBL8789687

SCHEMBL8789687

C=CC(c1ccc2c(c1)SCC(=O)N2)N1CCN(CCCCC)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.42
MAOA P21397 9/20 0.42
EPHX2 P34913 1/20 0.40
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL9449665 0.76 MAOB (0.48) MAOBMAOAEPHX2
SCHEMBL9449443 0.76 SIGMAR1 (0.53) MAOBMAOAEPHX2LMNASMN1; SMN2
SCHEMBL15586614 0.67 EPHX2 (0.63) MAOBMAOAEPHX2LMNA
SCHEMBL10767158 0.64 IDH1 (0.50) LMNA
SCHEMBL17387582 0.63 DRD3 (0.37) LMNA
SCHEMBL279937 0.60 EPHX2 (1.00) MAOBMAOAEPHX2LMNA
SCHEMBL14565134 0.60 MAOB (0.55) MAOBMAOAEPHX2LMNA
SCHEMBL16227246 0.59 ACHE (0.68)
SCHEMBL13261424 0.59 GNAI3 (0.53) MAOBLMNA
Propene SCHEMBL28191652 0.59 GNAI3 (0.57) LMNA

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-0478446-B1 Heterocyclic alkylamines, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1997-11-19 EP claimed
EP-0478446-A1 Heterocyclic alkylamines, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-04-01 EP claimed