SCHEMBL7844529

SCHEMBL7844529

c1ccc(Cn2ccc3cc(N4CCNCC4)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.52
HTR3A P46098 3/20 0.52
HTR3E A5X5Y0 2/20 0.52
HTR3B O95264 2/20 0.52
HTR3D Q70Z44 2/20 0.52
HTR3C Q8WXA8 2/20 0.52
HTR5A P47898 1/20 0.52
HRH4 Q9H3N8 1/20 0.51
HTR6 P50406 4/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL1919818 0.79 KMT2A (0.49) SIGMAR1HTR3AHTR3EHTR3BHTR3D
SCHEMBL12006727 0.73 HTR3E (0.54) SIGMAR1HTR3AHTR3EHTR3BHTR3D
SCHEMBL6692591 0.73 HTR7 (0.59) HTR3AHTR5AHTR6SLC6A2SLC6A4
SCHEMBL6694787 0.73 HTR7 (0.48) HTR5AHRH4HTR6HDAC3HDAC4
SCHEMBL6824300 0.72 APP (0.55) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL20680847 0.72 PIM1 (0.43) HTR6HDAC3HDAC1HDAC2HDAC8
SCHEMBL7533961 0.72 HTR6 (0.80) SIGMAR1HTR3AHTR3EHTR3BHTR3D
SCHEMBL4317740 0.72 HTR6 (0.77) HTR6DRD2HTR1AHTR7
SCHEMBL3861264 0.71 APP (0.53) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL9583627 0.71 HTR2A (0.54) HTR6HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802173-B1 Process for producing heterocylic aromatic amine or arylamine TOSOH CORP (JP) 2001-12-19 EP disclosed
US-5929281-A REACTING A HETROCYCLIC AROMATIC HALIDE WITH AN AMINE COMPOUND IN PRESENCE OF A BASE USING A TRI-TERT-BUTYLPHOSPHINE AND PALLADIUM COMPOUND CATALYST TO FORM HETEROCYCLIC AROMATIC AMINE COMPOUNDS TOSOH CORPORATION (JP) 1999-07-27 US disclosed
EP-0802173-A1 Process for producing heterocylic aromatic amine or arylamine Tosoh Corporation (JP) 1997-10-22 EP disclosed