SCHEMBL7141589

SCHEMBL7141589

CCOC(=O)C#CC1CCN(Cc2ccc3c(c2)Nc2nccnc2S3)CC1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 20/20 0.65

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
SCHEMBL6752097 0.88 ICAM1 (0.74) ICAM1
SCHEMBL7147240 0.82 ICAM1 (0.77) ICAM1
SCHEMBL7037888 0.79 ICAM1 (0.76) ICAM1
SCHEMBL8322393 0.78 ICAM1 (1.00) ICAM1
SCHEMBL7148828 0.78 ICAM1 (0.60) ICAM1
SCHEMBL6750454 0.78 ICAM1 (0.70) ICAM1
SCHEMBL7147245 0.77 ICAM1 (0.72) ICAM1
SCHEMBL6750173 0.77 ICAM1 (0.75) ICAM1
SCHEMBL7141592 0.77 ICAM1 (0.56) ICAM1
SCHEMBL7148802 0.76 ICAM1 (0.62) ICAM1

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-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed