SCHEMBL7544324

SCHEMBL7544324

CC(C)(C)OOC(=O)CCNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.42
ITGAV P06756 3/20 0.42
ITGA2B P08514 3/20 0.42
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
VDR P11473 1/20 0.38
USP30 Q70CQ3 4/20 0.38
NPY2R P49146 1/20 0.36
MTTP P55157 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CHRM1 P11229 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL6797582 0.92 ITGB3 (0.41) ITGB3ITGAVITGA2BGAASMN1; SMN2
SCHEMBL383372 0.90 ITGB3 (0.42) ITGB3ITGAVITGA2BGAASMN1; SMN2
SCHEMBL382677 0.87 ITGB3 (0.43) ITGB3ITGAVITGA2BGAASMN1; SMN2
SCHEMBL6800155 0.86 ALDH1A1 (0.44) ITGB3ITGAVITGA2BSMN1; SMN2ALDH1A1
SCHEMBL382456 0.82 ITGB3 (0.47) ITGB3ITGAVITGA2BGAASMN1; SMN2
SCHEMBL382847 0.82 ITGB3 (0.43) ITGB3ITGAVITGA2BGAASMN1; SMN2
SCHEMBL7540512 0.81 DRD2 (0.41) ITGB3ITGAVITGA2BHDAC6ALDH1A1
SCHEMBL383238 0.81 ITGB3 (0.52) ITGB3ITGAVITGA2BVDRUSP30
SCHEMBL382399 0.81 ITGB3 (0.40) ITGB3ITGAVITGA2BSMN1; SMN2HPGD
SCHEMBL383437 0.81 ITGB3 (0.47) ITGB3ITGAVITGA2BGAASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1209152-A1 OMEGA-AMINO-ALPHA-HYDROXYCARBOXYLIC ACID DERIVATIVES HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-05-29 EP claimed
EP-1209152-A1 OMEGA-AMINO-ALPHA-HYDROXYCARBOXYLIC ACID DERIVATIVES HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-05-29 EP disclosed