SCHEMBL9840456

SCHEMBL9840456

NCCCCCCc1ccc(N)cc1.Nc1ccc(N)cc1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.64
MAOA P21397 3/20 0.60
HRH1 P35367 4/20 0.59
HTR2A P28223 2/20 0.59
GFER P55789 1/20 0.59
LOXL2 Q9Y4K0 1/20 0.50
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL9043073 1.00 MAOB (0.64) MAOBMAOAHRH1HTR2AGFER
SCHEMBL6014350 1.00 MAOB (0.64) MAOBMAOAHRH1HTR2AGFER
SCHEMBL9840873 1.00 MAOB (0.64) MAOBMAOAHRH1HTR2AGFER
SCHEMBL30601909 1.00 MAOB (0.64) MAOBMAOAHRH1HTR2AGFER
SCHEMBL2328304 0.98 MAOB (0.67) MAOBMAOAHRH1HTR2AGFER
SCHEMBL238409 0.90 GFER (0.65) MAOBMAOAHRH1HTR2AGFER
SCHEMBL20251158 0.90 MAOB (0.76) MAOBMAOAHRH1HTR2AGFER
SCHEMBL4022346 0.90 MAOB (0.76) MAOBMAOAHRH1HTR2AGFER
SCHEMBL4021564 0.90 MAOB (0.76) MAOBMAOAHRH1HTR2AGFER
SCHEMBL9350714 0.90 MAOA (0.71) MAOBMAOAHRH1HTR2ATSHR

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
US-5011861-A Containing functional groups capable of bonding peptides and proteins MILLIPORE CORPORATION (US) 1991-04-30 US claimed
EP-0353460-A2 Membranes for solid phase protein sequencing MILLIPORE CORPORATION (US) 1990-02-07 EP claimed