SCHEMBL9160633

SCHEMBL9160633

Nc1c(F)c(N2CCCC[C@@H](N)C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.68
CACNA1F O60840 1/20 0.68
MAPK1 P28482 1/20 0.68
CACNA1D Q01668 1/20 0.68
KCNH2 Q12809 1/20 0.68
CACNA1S Q13698 1/20 0.68
CACNA1C Q13936 1/20 0.68
GSK3B P49841 14/20 0.60
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TOP2A P11388 2/20 0.55
TOP2B Q02880 2/20 0.55
ALDH1A1 P00352 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54

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
SCHEMBL9158072 1.00 POLB (0.68) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9157848 1.00 POLB (0.68) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9790134 0.97 POLB (0.69) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL8922019 0.93 POLB (0.72) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9165069 0.92 POLB (0.61) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9159605 0.92 POLB (0.61) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9160778 0.92 POLB (0.61) POLBCACNA1FMAPK1CACNA1DKCNH2
Hydrochloric Acid SCHEMBL9368352 0.91 POLB (0.69) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL10686828 0.91 CACNA1F (0.74) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9160785 0.90 CACNA1F (0.73) POLBCACNA1FMAPK1CACNA1DKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6041084-A None JP disclosed
US-5430028-A Strong activity against grampositive bacteria; excellent absorption SS PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
EP-0601197-A1 5-AMINOQUINOLONECARBOXYLIC ACID DERIVATIVE AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT SS PHARMACEUTICAL CO., LTD. (JP) 1994-06-15 EP disclosed
JP-H0641084-A 5-AMINOQUINOLONECARBOXYLIC ACID DERIVATIVE AND ANTIMICROBIAL AGENT CONTAINING THE SAME DERIVATIVE AS ACTIVE COMPONENT SS PHARMACEUT CO LTD 1994-02-15 JP disclosed
JP-H00641084-A 0001-01-01 JP disclosed