SCHEMBL7222891

SCHEMBL7222891

CN(c1ccccn1)C1CCN(CC(=O)N(Cc2cccc3ccccc23)c2ccc3c(c2)nc(CCc2ccc(CN)cc2)n3C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.39
NQO2 P16083 2/20 0.34
HDAC1 Q13547 2/20 0.34
SLC22A2 O15244 1/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
PROC P04070 1/20 0.34
HPN P05981 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
SLC47A2 Q86VL8 1/20 0.34
SLC47A1 Q96FL8 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL7119786 0.94 F2 (0.47) F2NQO2SLC22A2F10PLG
SCHEMBL7223673 0.88 F2 (0.39) F2HDAC1KDM4ENPC1RAB9A
SCHEMBL7219009 0.86 F2 (0.41) F2HDAC1KDM4ENPC1RAB9A
SCHEMBL7217499 0.85 F2 (0.42) F2HDAC1KDM4ENPC1RAB9A
SCHEMBL7219016 0.83 CA12 (0.41) F2HDAC1KDM4ENPC1RAB9A
SCHEMBL7216888 0.83 F2 (0.37) F2HDAC1KDM4ENPC1RAB9A
SCHEMBL7218890 0.83 NTRK1 (0.40) F2KDM4ENPC1RAB9AALDH1A1
SCHEMBL7216788 0.83 KDM4E (0.39) F2HDAC1KDM4ENPC1RAB9A
SCHEMBL7224671 0.83 NTRK1 (0.40) F2HDAC1KDM4ENPC1RAB9A
SCHEMBL7120809 0.82 F2 (0.47) F2NQO2SLC22A2F10PLG

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-6656956-B2 Tryptase inhibitor; antiinflamamtory agents, antiallergens BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed