SCHEMBL4353612

SCHEMBL4353612

CN1CCCN(C=O)C(c2nc3cc(F)c(F)cc3[nH]2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
PRCP P42785 4/20 0.36
PDE10A Q9Y233 1/20 0.36
HCRTR1 O43613 7/20 0.35
HCRTR2 O43614 7/20 0.35
PARP1 P09874 1/20 0.33
DGAT1 O75907 2/20 0.33
KCNH2 Q12809 2/20 0.33
ADORA2A P29274 1/20 0.33
USP30 Q70CQ3 1/20 0.31
MLLT1 Q03111 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
SCHEMBL6130853 0.75 HRH4 (0.49) HRH4HRH3PARP1
SCHEMBL4098296 0.74 HRH4 (0.43) HRH4HRH3PRCPPDE10AHCRTR1
SCHEMBL4354354 0.71 HRH4 (0.44) HRH4HRH3PRCPPDE10AHCRTR1
SCHEMBL4109197 0.66 TXN (0.36) HRH4HRH3PRCPPDE10AHCRTR1
SCHEMBL4345353 0.65 PARP1 (0.48) PARP1
SCHEMBL602120 0.64 HRH4 (0.67) HRH4HRH3
SCHEMBL4358469 0.61 PDE10A (0.38) HRH4HRH3PRCPPDE10AHCRTR1
SCHEMBL2511920 0.61 HTR2B (0.47) HRH4HRH3
SCHEMBL15844574 0.60 SCN10A (0.58) PDE10APARP1
SCHEMBL15844575 0.60 SCN10A (0.58) PDE10APARP1

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
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 US claimed