SCHEMBL4358835

SCHEMBL4358835

CN1CC[N]C(c2nc3c(F)cc(F)cc3[nH]2)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 12/20 0.36
PARP1 P09874 3/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
DGAT1 O75907 1/20 0.32
ADORA2A P29274 1/20 0.32
KCNH2 Q12809 1/20 0.32
TPSAB1 Q15661 1/20 0.31
TPSD1 Q9BZJ3 1/20 0.31
TPSG1 Q9NRR2 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
SCHEMBL4354354 0.80 HRH4 (0.44) EGLN1HRH4DGAT1ADORA2AKCNH2
SCHEMBL4097945 0.79 HRH4 (0.47) PARP1EGLN1HRH4
SCHEMBL4350354 0.78 MPO (0.38) PARP1TNKSTNKS2HRH4
SCHEMBL4350353 0.73 HRH4 (0.45) PARP1HRH4
SCHEMBL4350617 0.73 HCRTR1 (0.38) PARP1EGLN1HRH4
SCHEMBL4353639 0.73 KDM4E (0.40)
SCHEMBL4358956 0.72 PARP1 (0.45) PARP1
SCHEMBL4098296 0.72 HRH4 (0.43) PARP1HRH4DGAT1ADORA2AKCNH2
SCHEMBL4344619 0.72 PARP1 (0.42) PARP1
SCHEMBL4356646 0.72 HRH4 (0.45) HRH4

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 disclosed