SCHEMBL9568141

SCHEMBL9568141

CC[C@H](C)OC(=O)CC1CCN(C(=O)c2ccc(-c3ccc(C(=N)NC(=O)OC)cc3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HRH3 Q9Y5N1 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
ITGB3 P05106 5/20 0.38
ITGA2B P08514 5/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
HTR2B P41595 2/20 0.36
HTR1A P08908 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 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
SCHEMBL9568202 1.00 POLB (0.43) POLBHRH3ALDH1A1SMN1; SMN2ITGB3
SCHEMBL9568137 0.91 HRH3 (0.39) POLBHRH3ALDH1A1SMN1; SMN2ITGB3
SCHEMBL8407957 0.89 POLB (0.43) POLBHRH3ALDH1A1SMN1; SMN2ITGB3
Hydrochloric Acid SCHEMBL9568159 0.86 ITGB3 (0.48) POLBITGB3ITGA2B
Hydrochloric Acid SCHEMBL9568193 0.86 ITGB3 (0.48) POLBITGB3ITGA2B
SCHEMBL9568130 0.85 POLB (0.41) POLBHRH3ALDH1A1SMN1; SMN2ITGB3
SCHEMBL8407952 0.84 ITGB3 (0.49) POLBALDH1A1SMN1; SMN2ITGB3ITGA2B
SCHEMBL8410914 0.84 ITGB3 (0.42) POLBHRH3ALDH1A1SMN1; SMN2ITGB3
SCHEMBL8407956 0.83 ITGB3 (0.44) POLBHRH3ALDH1A1SMN1; SMN2ITGB3
SCHEMBL9568214 0.83 HRH3 (0.39) POLBHRH3ALDH1A1SMN1; SMN2ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574808-A1 Amidine-biphenyl derivatives, process for their production & medical preparation containing them Dr. Karl Thomae GmbH (DE) 1993-12-22 EP disclosed