SCHEMBL9568108

SCHEMBL9568108

C=CCOC(=O)NC(=N)c1ccc(-c2ccc(C(=O)N3CCC(CC(=O)OC4OC(=O)c5ccccc54)CC3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
TGM2 P21980 1/20 0.33
HTR2B P41595 3/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTR1A P08908 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9568103 0.82 SMN1; SMN2 (0.42) HTR2BSMN1; SMN2
SCHEMBL9568090 0.82 ITGB3 (0.41) POLBTGM2HTR2BLMNA
SCHEMBL9568118 0.80 POLB (0.45) POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL8407956 0.72 ITGB3 (0.44) POLBSMN1; SMN2ALDH1A1
SCHEMBL8407957 0.72 POLB (0.43) POLBHTR2BLMNASMN1; SMN2HTR1A
SCHEMBL8410914 0.72 ITGB3 (0.42) POLBSMN1; SMN2ALDH1A1
SCHEMBL8407202 0.71 YAP1 (0.49) POLBTGM2HTR2BLMNASMN1; SMN2
SCHEMBL9568217 0.70 HRH3 (0.42) POLBHTR2BSMN1; SMN2ALDH1A1
SCHEMBL9568105 0.70 ITGB3 (0.43) POLBHTR2BLMNASMN1; SMN2ALDH1A1
SCHEMBL9568095 0.70 TGM2 (0.48) POLBTGM2HTR2BLMNASMN1; 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