SCHEMBL7224825

SCHEMBL7224825

Cn1c(CCc2ccc(C(=N)N)cc2)nc2cc(N(Cc3cccc4ccccc34)C(=O)Nc3ccccc3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.57
NTRK1 P04629 3/20 0.44
NTRK2 Q16620 3/20 0.44
SLC22A2 O15244 1/20 0.42
F10 P00742 1/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
PROC P04070 1/20 0.42
HPN P05981 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
NQO2 P16083 1/20 0.42
PRSS3 P35030 1/20 0.42
SLC47A2 Q86VL8 1/20 0.42
SLC47A1 Q96FL8 1/20 0.42

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
SCHEMBL7216977 0.92 F2 (0.55) F2
SCHEMBL7124405 0.91 F2 (0.57) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL7427082 0.87 F2 (0.59) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL7441346 0.85 F2 (0.54) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL7440902 0.85 F2 (0.54) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL7438891 0.85 F2 (0.57) F2
Hydrochloric Acid SCHEMBL7439360 0.84 F2 (0.57) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL7448835 0.84 F2 (0.53) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL7440787 0.84 F2 (0.56) F2NQO2
Hydrochloric Acid SCHEMBL7442802 0.84 F2 (0.54) F2

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