SCHEMBL9507591

SCHEMBL9507591

CCCSc1ncc(C[C@H](NC(=O)CCC)C(=O)O)n1CCc1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.37
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ITGA4 P13612 3/20 0.35
ITGB7 P26010 2/20 0.35
ITGB1 P05556 2/20 0.35
GPR132 Q9UNW8 1/20 0.35
DRD2 P14416 1/20 0.35
CTSG P08311 1/20 0.35
CMA1 P23946 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL8957161 0.92 TP53 (0.40) TP53MAPTADORA3ADORA2AADORA1
SCHEMBL7056869 0.91 TP53 (0.45) TP53MAPT
SCHEMBL9507594 0.86 MAPT (0.39) MAPT
SCHEMBL8971301 0.85 TP53 (0.44) TP53
SCHEMBL8971303 0.85 TP53 (0.44) TP53
SCHEMBL8957190 0.84 TP53 (0.38) TP53ADORA3ADORA2AADORA1DRD2
SCHEMBL8957111 0.83 TP53 (0.44) TP53MAPTADORA3ADORA2AADORA1
SCHEMBL8957103 0.83 TP53 (0.44) TP53MAPTADORA3ADORA2AADORA1
SCHEMBL7056937 0.83 TP53 (0.46) TP53MAPTADORA3ADORA2AADORA1
SCHEMBL8957074 0.82 TP53 (0.45) TP53ADORA3ADORA2AADORA1

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-0561896-A1 USE OF ANGIOTENSN II RECEPTOR ANTAGONISTS FOR THE PREPARATION OF A MEDICAMENT FOR IMPROVING COGNITIVE FUNCTION SMITHKLINE BEECHAM PLC (GB) 1993-09-29 EP disclosed
EP-0561977-A1 USE OF ANGIOTENSIN II RECEPTOR ANTAGONISTS IN THE TREATMENT OF HEMORRAGIC STROKE SMITHKLINE BEECHAM PLC (GB) 1993-09-29 EP disclosed