SCHEMBL6529092

SCHEMBL6529092

C[CH]c1nc2cc(Cl)cc(N)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
NR4A2 P43354 2/20 0.33
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
BACE1 P56817 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 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
SCHEMBL5355865 0.77 ALDH1A1 (0.44) CHUKHRH4NR4A2HTR3EHTR3B
SCHEMBL6528307 0.69 ALDH1A1 (0.48) HRH4NR4A2HTR3EHTR3BHTR3A
SCHEMBL31078313 0.66 HRH4 (0.46) CHUKHRH4NR4A2
SCHEMBL5429247 0.63 NPY5R (0.37) NR4A2HTR3EHTR3BHTR3ABACE1
SCHEMBL5681122 0.63 FABP6 (0.47) HRH4NR4A2HTR3EHTR3BHTR3A
SCHEMBL27888930 0.63 CHUK (0.56) CHUKHRH4NR4A2
SCHEMBL5924445 0.62 HTR3E (0.47) CHUKHTR3EHTR3BHTR3ABACE1
SCHEMBL5356864 0.62 MAPT (0.44) CHUKNR4A2
SCHEMBL28113979 0.60 HRH4 (0.43) CHUKHRH4
SCHEMBL28600170 0.60 AHR (0.45) CHUKHRH4NR4A2

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-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 WO disclosed