SCHEMBL9568232

SCHEMBL9568232

COC(=O)CC1CCN(C(=O)c2ccc(-c3ccc(C(=N)NC(=O)OCOC(=O)C(C)(C)C)cc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ITGB3 P05106 12/20 0.37
ITGA2B P08514 12/20 0.37
HRH3 Q9Y5N1 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FASN P49327 1/20 0.35
GAA P10253 1/20 0.35
YAP1 P46937 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
SCHEMBL9568146 0.88 YAP1 (0.43) LMNAITGB3ITGA2BPOLBALDH1A1
SCHEMBL8407957 0.87 POLB (0.43) LMNAITGB3ITGA2BHRH3POLB
SCHEMBL8410914 0.87 ITGB3 (0.42) ITGB3ITGA2BHRH3POLBALDH1A1
SCHEMBL9568089 0.83 LMNA (0.41) LMNAITGB3ITGA2BHRH3POLB
SCHEMBL9568113 0.83 PRSS1 (0.47) ITGB3ITGA2B
SCHEMBL8407202 0.83 YAP1 (0.49) LMNAPOLBALDH1A1SMN1; SMN2YAP1
Hydrochloric Acid SCHEMBL9568117 0.82 PRSS1 (0.46) ITGB3ITGA2B
SCHEMBL8407956 0.82 ITGB3 (0.44) ITGB3ITGA2BHRH3POLBALDH1A1
SCHEMBL8409563 0.80 SMN1; SMN2 (0.49) LMNAHRH3POLBALDH1A1SMN1; SMN2
SCHEMBL9568130 0.80 POLB (0.41) LMNAITGB3ITGA2BHRH3POLB

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
EP-0574808-A1 Amidine-biphenyl derivatives, process for their production & medical preparation containing them Dr. Karl Thomae GmbH (DE) 1993-12-22 EP disclosed