SCHEMBL9703008

SCHEMBL9703008

NCCCN1CCCC(COc2ccc(F)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
ACHE P22303 2/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
SIGMAR1 Q99720 2/20 0.45

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
Hydrochloric Acid SCHEMBL9555682 0.99 MEN1 (0.48) MEN1KMT2ALMNAHTTHRH3
SCHEMBL9555723 0.87 HRH3 (0.48) HRH3
SCHEMBL9527998 0.86 MEN1 (0.51) MEN1KMT2ALMNAHTTHRH3
Oxalic Acid SCHEMBL9528825 0.82 KDM4E (0.53) LMNAHTTHRH3MAOBACHE
SCHEMBL6333210 0.81 CCR3 (0.53) MAOB
SCHEMBL7575797 0.81 CCR3 (0.53) MAOB
Hydrochloric Acid SCHEMBL9556016 0.81 MAOA (0.46) MEN1KMT2ALMNAHTTMAOB
SCHEMBL7953492 0.80 MAOA (0.53) MAOBMAOADRD2DRD4
SCHEMBL9372865 0.79 SIGMAR1 (0.49) SIGMAR1
SCHEMBL6972028 0.79 MAOB (0.64) MEN1KMT2AMAOB

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
EP-0480794-A1 2-Aminopyrimidine-4-carboxamide derivatives, their preparation and therapeutic use SYNTHELABO (FR) 1992-04-15 EP disclosed