SCHEMBL7987038

SCHEMBL7987038

N=C(N)c1cccc(CN2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.54
HRH3 Q9Y5N1 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
DPP4 P27487 1/20 0.45
CYP46A1 Q9Y6A2 1/20 0.45
F2 P00734 3/20 0.45
PLG P00747 1/20 0.45
HPN P05981 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
ST14 Q9Y5Y6 1/20 0.44

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
SCHEMBL7999929 0.89 HRH3 (0.52) F10HRH3KDM4EMEN1ALDH1A1
SCHEMBL1651299 0.82 F10 (0.55) F10F2PLGHPNPRSS1
SCHEMBL7999713 0.81 F10 (0.62) F10F2PLG
SCHEMBL7997768 0.80 NPC1 (0.49) F10HRH3LMNAF2PLG
SCHEMBL7999935 0.79 F10 (0.56) F10HRH3F2PLGHPN
SCHEMBL8000015 0.78 F10 (0.53) F10F2PLGHPNPRSS1
SCHEMBL7996357 0.77 NPC1 (0.54) F10HRH3ALDH1A1LMNAMAPT
SCHEMBL7999871 0.77 MGLL (0.48) HRH3KDM4EMEN1ALDH1A1LMNA
SCHEMBL7986943 0.76 F10 (0.56) F10HRH3F2PLGHPN
SCHEMBL7986749 0.76 F10 (0.56) F10HRH3F2PLGHPN

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