SCHEMBL9735325

SCHEMBL9735325

CCOC(=O)c1cn(C2CC2)c2c(F)c(N3CCC(CO)C3)c(F)cc2c1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.57
ADRB2 P07550 1/20 0.56
ALDH1A1 P00352 3/20 0.51
POLB P06746 2/20 0.51
OPRM1 P35372 2/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
OPRD1 P41143 1/20 0.51
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
PRKD3 O94806 1/20 0.47
ALOX15 P16050 1/20 0.47
CLK2 P49760 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TOP2A P11388 2/20 0.44
TOP2B Q02880 2/20 0.44
STAT3 P40763 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL10529388 0.92 KCNH2 (0.68) KCNH2ADRB2ALDH1A1POLBOPRM1
SCHEMBL10529359 0.89 ADRB2 (0.57) KCNH2ADRB2ALDH1A1POLBOPRM1
SCHEMBL10860586 0.88 ADRB2 (0.54) KCNH2ADRB2ALDH1A1POLBOPRM1
SCHEMBL9734102 0.88 KCNH2 (0.69) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL6776958 0.86 ADRB2 (0.59) KCNH2ADRB2ALDH1A1POLBOPRM1
SCHEMBL6777872 0.86 KCNH2 (0.55) KCNH2ADRB2ALDH1A1POLBOPRM1
SCHEMBL9668175 0.86 ADRB2 (0.60) KCNH2ADRB2ALDH1A1POLBOPRM1
SCHEMBL7131518 0.85 ADRB2 (0.59) KCNH2ADRB2ALDH1A1POLBOPRM1
SCHEMBL6784057 0.85 KCNH2 (0.66) KCNH2ADRB2ALDH1A1POLBOPRM1
SCHEMBL7131512 0.84 ADRB2 (0.59) KCNH2ADRB2ALDH1A1POLBOPRM1

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-5153204-A Bactericides, animal growth promoters BAYER AKTIENGESELLSCHAFT (DE) 1992-10-06 US disclosed
US-4820716-A ANIMAL GROWTH REGULATORS, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-04-11 US disclosed