SCHEMBL9568137

SCHEMBL9568137

CCC(CC)OC(=O)CC1CCN(C(=O)c2ccc(-c3ccc(C(=N)NC(=O)OC)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.37
ITGB3 P05106 4/20 0.36
ITGA2B P08514 4/20 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
EPHX1 P07099 1/20 0.36
EPHX2 P34913 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
SCHEMBL9568141 0.91 POLB (0.43) HRH3POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL9568202 0.91 POLB (0.43) HRH3POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL8407957 0.90 POLB (0.43) HRH3POLBALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL9568219 0.86 ITGB3 (0.46) SMN1; SMN2ITGB3ITGA2B
SCHEMBL8407952 0.85 ITGB3 (0.49) POLBALDH1A1SMN1; SMN2ITGB3ITGA2B
SCHEMBL8410914 0.85 ITGB3 (0.42) HRH3POLBALDH1A1SMN1; SMN2ITGB3
SCHEMBL9568130 0.84 POLB (0.41) HRH3POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL8407956 0.84 ITGB3 (0.44) HRH3POLBALDH1A1SMN1; SMN2ITGB3
SCHEMBL9568105 0.83 ITGB3 (0.43) HRH3POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL9568089 0.83 LMNA (0.41) HRH3POLBALDH1A1SMN1; SMN2LMNA

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