SCHEMBL7224489

SCHEMBL7224489

Cn1c(CCc2ccc(C(=N)N)cc2)nc2cc(N(Cc3cccc4ccccc34)C(=O)CN3CCC(C(=O)c4ccccc4)CC3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.51
HTR2A P28223 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC1 Q13547 1/20 0.35

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
SCHEMBL7217499 0.94 F2 (0.42) F2HTR2AKDM4EALDH1A1TDP1
SCHEMBL7223072 0.92 F2 (0.51) F2HDAC1
SCHEMBL7218777 0.91 F2 (0.51) F2
SCHEMBL7118128 0.90 F2 (0.49) F2KDM4E
Hydrochloric Acid SCHEMBL7439048 0.89 F2 (0.52) F2KDM4E
SCHEMBL7115891 0.87 F2 (0.46) F2HDAC1
SCHEMBL7124406 0.87 F2 (0.47) F2KDM4E
SCHEMBL7115903 0.87 F2 (0.46) F2
SCHEMBL7120411 0.87 F2 (0.46) F2KDM4E
SCHEMBL7117072 0.87 F2 (0.46) 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