SCHEMBL6945801

SCHEMBL6945801

CC1=C(OC(=O)OC2CCCC2)C(c2c(F)cccc2Cl)C(C(=O)n2ccnc2)=C(C)N1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
TP53 P04637 8/20 0.44
POLB P06746 3/20 0.44
ALOX15 P16050 1/20 0.36

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
SCHEMBL7245462 0.88 MAPT (0.60) MAPTTP53POLBALOX15
SCHEMBL6951137 0.81 MAPT (0.55) MAPTTP53POLBALOX15
SCHEMBL27424745 0.80 POLB (0.42) MAPTTP53POLBALOX15
SCHEMBL6951542 0.75 MAPT (0.49) MAPTTP53POLBALOX15
SCHEMBL9210940 0.72 ALOX15 (0.43) ALOX15
SCHEMBL8914575 0.72 TP53 (0.49) MAPTTP53
SCHEMBL7241732 0.70 MAPT (0.68) MAPTTP53POLBALOX15
SCHEMBL9246649 0.69 MAPT (0.67) MAPTTP53POLBALOX15
SCHEMBL11117565 0.67 NR3C2 (0.44) MAPTTP53POLB
SCHEMBL8084184 0.67 MAPT (0.63) MAPTTP53POLBALOX15

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
EP-0657432-B1 Phenyl-substituted 1,4-dihydropyridines with cerebral activity BAYER AG (DE) 2003-03-12 EP disclosed
EP-0657431-B1 4-Phenyl-3-substituted 1,4-dihydropyridine esters with cerebral activity BAYER AG (DE) 2003-02-19 EP disclosed
EP-0657432-A1 Phenyl-substituted 1,4-dihydropyridines with cerebral activity BAYER AG (DE) 1995-06-14 EP disclosed
EP-0657431-A1 4-Phenyl-3-substituted 1,4-dihydropyridine esters with cerebral activity BAYER AG (DE) 1995-06-14 EP disclosed