SCHEMBL8988871

SCHEMBL8988871

N=C(N)c1ccc(N2CC(N3CCOCC3)=C(c3ccc(CCC(=O)O)cc3)C2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.59
ITGA2B P08514 17/20 0.59
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SLC13A5 Q86YT5 1/20 0.37
MAPT P10636 1/20 0.37

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
Hydrochloric Acid SCHEMBL8988615 0.99 ITGB3 (0.58) ITGB3ITGA2BLMNAGAASLC13A5
Hydrochloric Acid SCHEMBL8988834 0.91 ITGB3 (0.58) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8988696 0.90 ITGB3 (0.57) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8988707 0.88 ITGB3 (0.55) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8988537 0.87 ITGB3 (0.54) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8988506 0.86 ITGB3 (0.53) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8988484 0.86 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL8988617 0.85 ITGB3 (0.41) ITGB3ITGA2BGAA
SCHEMBL8988612 0.84 ITGB3 (0.41) ITGB3ITGA2BLMNAGAAMAPT
SCHEMBL8988875 0.84 ITGB3 (0.41) ITGB3ITGA2BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5489693-A ANTICOAGULANTS DR. KARK THOMAE, GMBH (DE) 1996-02-06 US claimed
EP-0567968-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 EP claimed
US-5489693-A ANTICOAGULANTS DR. KARK THOMAE, GMBH (DE) 1996-02-06 US disclosed
EP-0567968-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 EP disclosed