SCHEMBL4784156

SCHEMBL4784156

CN1CCN(c2ccnc(Nc3ccc(Cl)cc3)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.59
▸ FLT4 P35916 1/20 0.59
▸ HRH4 Q9H3N8 8/20 0.59
▸ HRH3 Q9Y5N1 3/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ FLT3 P36888 1/20 0.55
▸ MKNK1 Q9BUB5 1/20 0.55
▸ ADRA2B P18089 1/20 0.52
▸ ADRA2C P18825 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ HRH2 P25021 1/20 0.52
▸ HTR1D P28221 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ HTR7 P34969 1/20 0.52
▸ HTR2B P41595 1/20 0.52
▸ HTR5A P47898 1/20 0.52
▸ HTR6 P50406 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ TMEM97 Q5BJF2 1/20 0.52

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
SCHEMBL12325149 0.78 BRD4 (0.64) JAK2MKNK1EGFREIF2AK2BRD4
SCHEMBL15360086 0.78 HRH4 (0.70) AURKAFLT4HRH4HRH3ADRA2B
SCHEMBL28322770 0.78 JAK2 (0.71) AURKAJAK2FLT3MKNK1EGFR
SCHEMBL20012926 0.75 MKNK1 (0.62) AURKAFLT4HRH4JAK2FLT3
SCHEMBL5256958 0.75 AURKA (1.00) AURKAFLT4HRH4HRH3MKNK1
SCHEMBL29997962 0.75 HRH4 (0.65) HRH4HRH3HTR6
SCHEMBL2190955 0.75 HRH4 (0.65) HRH4HRH3HTR6
SCHEMBL1588697 0.74 HRH4 (1.00) HRH4HRH3ADRA2BADRA2CSLC6A2
SCHEMBL27020409 0.74 EGFR (0.64) AURKAJAK2FLT3MKNK1ADRA2C
SCHEMBL4074997 0.74 ZAP70 (0.53) AURKAFLT4HRH4HRH3JAK2

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
WO-2008060766-A2 HISTAMINE H4 RECEPTOR LIGANDS FOR USE IN PAIN TREATMENT ABBOTT LABORATORIES (US) 2008-05-22 — — WO disclosed
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