SCHEMBL382644

SCHEMBL382644

NC(CC(=O)O)(NC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1)S(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.46
ITGAV P06756 6/20 0.46
ITGA2B P08514 6/20 0.46
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SFRP1 Q8N474 1/20 0.35
SLC6A9 P48067 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
PKM P14618 1/20 0.35
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
USP30 Q70CQ3 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPY2R P49146 1/20 0.33
MTTP P55157 1/20 0.33

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
SCHEMBL7650900 0.89 ITGB3 (0.44) ITGB3ITGAVITGA2BHDAC8HDAC6
SCHEMBL381747 0.89 ITGB3 (0.37) ITGB3ITGAVITGA2BHDAC8HDAC6
SCHEMBL382645 0.85 ITGB3 (0.49) ITGB3ITGAVITGA2BHDAC8HDAC6
SCHEMBL27476109 0.85 ITGB3 (0.49) ITGB3ITGAVITGA2BHDAC8HDAC6
SCHEMBL383236 0.84 ITGB3 (0.43) ITGB3ITGAVITGA2BHDAC8PKM
SCHEMBL383373 0.82 ITGB3 (0.40) ITGB3ITGAVITGA2BHDAC8HDAC6
SCHEMBL382343 0.81 ITGB3 (0.46) ITGB3ITGAVITGA2BHDAC8HDAC6
SCHEMBL382771 0.79 GAA (0.46) ITGB3ITGAVITGA2BHDAC8HDAC6
SCHEMBL382824 0.79 ITGB3 (0.48) ITGB3ITGAVITGA2BSLC6A9PKM
SCHEMBL382037 0.79 ITGB3 (0.55) ITGB3ITGAVITGA2BSLC6A9FFAR4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1140511-C As integrin alphavβ3Aminopiperidine derivatives as antagonists �����Ƹ���ʽ���� 2004-03-03 CN claimed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US claimed
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
CN-1140511-C As integrin alphavβ3Aminopiperidine derivatives as antagonists �����Ƹ���ʽ���� 2004-03-03 CN disclosed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed