SCHEMBL7216989

SCHEMBL7216989

Cn1c(CCc2ccc(C(=N)N)cc2)nc2cc(N(Cc3cccc4ccccc34)C(=O)CN3CCC(Cc4ccccn4)CC3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.47
F10 P00742 3/20 0.38
NQO2 P16083 2/20 0.38
SLC22A2 O15244 1/20 0.38
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
PROC P04070 1/20 0.38
HPN P05981 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
SLC47A2 Q86VL8 1/20 0.38
SLC47A1 Q96FL8 1/20 0.38
F7 P08709 1/20 0.36
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL7218777 0.92 F2 (0.51) F2F10PRSS1
SCHEMBL7223072 0.89 F2 (0.51) F2
SCHEMBL7120809 0.89 F2 (0.47) F2F10NQO2SLC22A2PLG
SCHEMBL7119786 0.89 F2 (0.47) F2F10NQO2SLC22A2PLG
SCHEMBL7222782 0.88 F2 (0.47) F2F10NQO2SLC22A2PLG
Hydrochloric Acid SCHEMBL7436617 0.87 F2 (0.49) F2F10NQO2SLC22A2PLG
Hydrochloric Acid SCHEMBL7438141 0.87 F2 (0.49) F2F10NQO2SLC22A2PLG
SCHEMBL7224489 0.87 F2 (0.51) F2
Hydrochloric Acid SCHEMBL7439048 0.86 F2 (0.52) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7431110 0.86 F2 (0.53) F2F10NQO2SLC22A2PLG

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