SCHEMBL16016381

SCHEMBL16016381

C1=Cc2c(n(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-n7c8ccccc8c8cnccc87)c6)n5)n4)c3)c3ccccc23)CN1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32
ACHE P22303 1/20 0.32
KARS1 Q15046 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31

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
SCHEMBL10048449 0.89 KARS1 (0.30) KARS1
SCHEMBL13892803 0.85 MAOA (0.31) MAOAMAOBACHE
SCHEMBL9922154 0.85 MAOA (0.32) MAOAMAOBACHEKARS1DDB1
SCHEMBL16016292 0.85 MAOA (0.32) MAOAMAOBACHEKARS1DDB1
SCHEMBL16016346 0.85 HTR1A (0.33)
SCHEMBL16016352 0.85 CDK4 (0.31)
SCHEMBL16016279 0.84 MAOA (0.32) MAOAMAOBACHEKARS1DDB1
SCHEMBL9921850 0.84 MAOA (0.43) MAOAMAOBACHEKARS1DDB1
SCHEMBL14706285 0.84 MAOA (0.43) MAOAMAOBACHEKARS1DDB1
SCHEMBL14706283 0.83 MAOA (0.43) MAOAMAOBACHEKARS1DDB1

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-2241568-B1 COMPOUND HAVING SUBSTITUTED PYRIDYL GROUP AND PYRIDOINDOLE RING STRUCTURE LINKED THROUGH PHENYLENE GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO LTD (JP) 2014-09-10 EP disclosed