SCHEMBL9568217

SCHEMBL9568217

COC(=O)NC(=N)c1ccc(-c2ccc(C(=O)N3CCC(CC(=O)OC4CCOCC4)CC3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.42
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD4 P21917 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HTR2B P41595 2/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LRRK2 Q5S007 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
SCHEMBL9568105 0.90 ITGB3 (0.43) HRH3POLBALDH1A1HTR2BSMN1; SMN2
SCHEMBL9568136 0.90 SCN1A (0.43) HRH3POLBALDH1A1HTR2BSMN1; SMN2
Hydrochloric Acid SCHEMBL9568205 0.88 HTR2B (0.39) HRH3POLBALDH1A1HTR2BSMN1; SMN2
SCHEMBL8407957 0.87 POLB (0.43) HRH3POLBALDH1A1HTR2BGAA
SCHEMBL9568192 0.85 PRSS1 (0.45) HRH3CHRM2CHRM1ADRA2CCHRM3
SCHEMBL8407952 0.83 ITGB3 (0.49) POLBALDH1A1SMN1; SMN2
SCHEMBL9568179 0.83 YAP1 (0.44) HTR2BSMN1; SMN2
SCHEMBL9568130 0.82 POLB (0.41) HRH3POLBALDH1A1HTR2BSMN1; SMN2
SCHEMBL9568137 0.82 HRH3 (0.39) HRH3POLBALDH1A1HTR2BSMN1; SMN2
SCHEMBL9568141 0.81 POLB (0.43) HRH3POLBALDH1A1HTR2BSMN1; SMN2

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