SCHEMBL7313682

SCHEMBL7313682

CC(OC(=O)C[C@@H]1C[C@@H](COc2ccc3c(c2)CCc2cc(C(=N)NC(=O)OCc4ccccc4)ccc2-3)NC1=O)OC(=O)OC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
GHSR Q92847 1/20 0.33
CAPN2 P17655 7/20 0.33
CTSK P43235 5/20 0.32
CTSS P25774 4/20 0.32
CTSL P07711 3/20 0.32
MASP2 O00187 2/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CTSB P07858 1/20 0.31

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
SCHEMBL7313815 0.89 ITGB3 (0.45) ITGB3ITGA2BCAPN2CTSKCTSS
SCHEMBL7306502 0.89 ITGB3 (0.45) ITGB3ITGA2BCAPN2CTSKCTSS
SCHEMBL7275398 0.85 ITGB3 (0.40) ITGB3ITGA2BCAPN2CTSKCTSS
Hydrochloric Acid SCHEMBL7305290 0.85 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7314181 0.81 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7301568 0.80 ITGB3 (0.47) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL7313594 0.80 ITGB3 (0.49) ITGB3ITGA2BCTSKCTSSMASP2
SCHEMBL7314657 0.80 ITGB3 (0.48) ITGB3ITGA2BCTSKCTSSMASP2
SCHEMBL7309683 0.80 ITGB3 (0.48) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL7315002 0.80 ITGB3 (0.48) ITGB3ITGA2BCTSKCTSSCTSL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567966-B1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof BOEHRINGER INGELHEIM PHARMA (DE) 1998-09-02 EP disclosed
EP-0567966-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 EP disclosed