SCHEMBL7999835

SCHEMBL7999835

N=C(N)c1ccc(CN2CCN(Cc3ccccc3)C(=O)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.58
HPN P05981 2/20 0.53
PRSS1 P07477 2/20 0.53
PRSS2 P07478 2/20 0.53
PRSS3 P35030 2/20 0.53
HGFAC Q04756 2/20 0.53
ST14 Q9Y5Y6 2/20 0.53
F2 P00734 1/20 0.53
APP P05067 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
ITGB3 P05106 5/20 0.51
ITGA2B P08514 5/20 0.51
MCHR1 Q99705 1/20 0.50
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
MAPK1 P28482 1/20 0.47
HDAC4 P56524 1/20 0.46
KCNH2 Q12809 1/20 0.46
HDAC1 Q13547 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL7986780 0.95 F10 (0.62) F10HPNPRSS1PRSS2PRSS3
SCHEMBL7986762 0.94 F10 (0.55) F10HPNPRSS1PRSS2PRSS3
SCHEMBL7986943 0.90 F10 (0.56) F10HPNPRSS1PRSS2PRSS3
SCHEMBL7986749 0.90 F10 (0.56) F10HPNPRSS1PRSS2PRSS3
SCHEMBL7999935 0.89 F10 (0.56) F10HPNPRSS1PRSS2PRSS3
SCHEMBL7999904 0.89 F10 (0.53) F10HPNPRSS1PRSS2PRSS3
SCHEMBL7986772 0.88 F10 (0.57) F10HPNPRSS1PRSS2PRSS3
SCHEMBL10841960 0.85 APP (0.62) APPHRH3MCHR1PRMT5WDR77
SCHEMBL8000015 0.85 F10 (0.53) F10HPNPRSS1PRSS2PRSS3
SCHEMBL7996092 0.84 F10 (0.58) F10HPNPRSS1PRSS2PRSS3

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-2000008005-A2 PIPERAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-17 WO disclosed