SCHEMBL9568191

SCHEMBL9568191

CN(C)C(=O)COC(=O)CC1CCN(C(=O)c2ccc(-c3ccc(C(=N)NC(=O)OCc4ccccc4)cc3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.43
TGM2 P21980 1/20 0.42
HTR2B P41595 2/20 0.40
HTR1A P08908 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MASP2 O00187 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 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
SCHEMBL9568156 0.89 TGM2 (0.43) YAP1TGM2HTR2BHTR1AHTR1B
SCHEMBL8407202 0.89 YAP1 (0.49) YAP1TGM2HTR2BHTR1AHTR1B
SCHEMBL9568095 0.86 TGM2 (0.48) YAP1TGM2HTR2BHTR1AHTR1B
SCHEMBL9568146 0.85 YAP1 (0.43) YAP1TGM2HTR2BHTR1AHTR1B
SCHEMBL9568145 0.85 EPHX1 (0.47) YAP1TGM2HTR2BHTR1AHTR1B
SCHEMBL9568160 0.83 YAP1 (0.41) YAP1TGM2HTR2BHTR1AHTR1B
SCHEMBL8407956 0.81 ITGB3 (0.44) POLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL9568124 0.81 ITGB3 (0.48) SMN1; SMN2
SCHEMBL9568179 0.80 YAP1 (0.44) YAP1TGM2HTR2BHTR1AHTR1B
SCHEMBL9568134 0.79 YAP1 (0.39) YAP1TGM2HTR2BHTR1AHTR1B

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