SCHEMBL9733802

SCHEMBL9733802

O=C(O)c1cn(C2CC2)c2c(Cl)c(N3CC[C@H](CO)C3)c(F)cc2c1=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.76
POLB P06746 2/20 0.76
OPRM1 P35372 2/20 0.76
CHRM2 P08172 1/20 0.76
CHRM1 P11229 1/20 0.76
OPRD1 P41143 1/20 0.76
KCNH2 Q12809 7/20 0.64
KDM4E B2RXH2 3/20 0.54
HPGD P15428 3/20 0.54
HSD17B10 Q99714 2/20 0.54
PRKD3 O94806 1/20 0.54
ALOX15 P16050 1/20 0.54
CLK2 P49760 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 3/20 0.49
TOP2A P11388 4/20 0.48
TOP2B Q02880 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL9734892 1.00 ALDH1A1 (0.76) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL6489034 1.00 ALDH1A1 (0.76) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL5571239 0.92 ALDH1A1 (0.78) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL10530738 0.91 ALDH1A1 (0.77) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9734102 0.90 KCNH2 (0.69) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10762411 0.89 ALDH1A1 (0.69) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9022839 0.89 ALDH1A1 (0.71) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10529357 0.89 ALDH1A1 (0.71) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL10529374 0.88 ALDH1A1 (0.70) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10530714 0.88 ALDH1A1 (0.70) ALDH1A1POLBOPRM1CHRM2CHRM1

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