SCHEMBL7216977

SCHEMBL7216977

Cn1c(CCc2ccc(C(=N)N)cc2)nc2cc(N(Cc3cccc4ccccc34)C(=O)Nc3cccc4ccccc34)ccc21

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.55
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 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
SCHEMBL7224825 0.92 F2 (0.57) F2
SCHEMBL7124405 0.89 F2 (0.57) F2HDAC1HDAC6
Hydrochloric Acid SCHEMBL7427082 0.87 F2 (0.59) F2
Hydrochloric Acid SCHEMBL7440902 0.85 F2 (0.54) F2HDAC1HDAC6
Hydrochloric Acid SCHEMBL7438891 0.85 F2 (0.57) F2
Hydrochloric Acid SCHEMBL7448835 0.84 F2 (0.53) F2
Hydrochloric Acid SCHEMBL7440787 0.84 F2 (0.56) F2
Hydrochloric Acid SCHEMBL7442802 0.84 F2 (0.54) F2
Hydrochloric Acid SCHEMBL7437071 0.84 F2 (0.56) F2
Hydrochloric Acid SCHEMBL7439780 0.84 F2 (0.52) 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