SCHEMBL8084548

SCHEMBL8084548

CC1=C(C(=O)OCCC#N)C(c2c(F)cccc2Cl)C(C(=O)OC2CCCC2)=C(C)N1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
TP53 P04637 7/20 0.52
POLB P06746 1/20 0.52
ALOX15 P16050 1/20 0.51
NOTCH1 P46531 1/20 0.41

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
SCHEMBL8084184 0.89 MAPT (0.63) MAPTTP53POLBALOX15
SCHEMBL6952565 0.86 ALOX15 (0.61) MAPTTP53POLBALOX15
SCHEMBL6951542 0.84 MAPT (0.49) MAPTTP53POLBALOX15NOTCH1
SCHEMBL7241732 0.84 MAPT (0.68) MAPTTP53POLBALOX15
SCHEMBL9246649 0.83 MAPT (0.67) MAPTTP53POLBALOX15
SCHEMBL9246654 0.80 MAPT (0.62) MAPTTP53POLBALOX15
SCHEMBL6950377 0.76 TP53 (0.48) MAPTTP53POLBALOX15NOTCH1
SCHEMBL7245462 0.76 MAPT (0.60) MAPTTP53POLBALOX15
SCHEMBL11111931 0.76 CACNA1F (0.65) MAPTPOLB
SCHEMBL10987755 0.75 CACNA1D (0.55) MAPTTP53NOTCH1

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
US-6066655-A FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, IN PARTICULAR AS CEREBRAL THERAPEUTICS BAYER AKTIENGESELLSCHAFT (DE) 2000-05-23 US disclosed
US-5731333-A LEARNING AND MEMORY ENHANCEMENT, ANTIDEPRESSANTS BAYER AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed