SCHEMBL7659624

SCHEMBL7659624

COc1ccc(CN(C2=NCCCN2)C2CCN(c3ccc(C(=O)NCCC(=O)ON)cc3F)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.41
ITGAV P06756 4/20 0.41
ITGA2B P08514 4/20 0.41
F10 P00742 1/20 0.38
DPP4 P27487 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
WDR5 P61964 1/20 0.36
PARP1 P09874 2/20 0.35
TNK2 Q07912 2/20 0.35
TNK1 Q13470 2/20 0.35
CCR5 P51681 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SMYD2 Q9NRG4 1/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34

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
SCHEMBL7656296 0.93 ITGB3 (0.39) ITGB3ITGAVITGA2BF10DPP4
SCHEMBL382788 0.90 ITGB3 (0.39) ITGB3ITGAVITGA2BF10DPP4
SCHEMBL7660986 0.88 ITGB3 (0.40) ITGB3ITGAVITGA2BF10CCR5
SCHEMBL7659630 0.86 ITGB3 (0.48) ITGB3ITGAVITGA2BF10MAPT
SCHEMBL383255 0.86 MAPT (0.40) ITGB3ITGAVITGA2BF10MAPT
SCHEMBL382970 0.85 ITGB3 (0.39) ITGB3ITGAVITGA2BF10MAPT
SCHEMBL7656305 0.83 ITGB3 (0.51) ITGB3ITGAVITGA2BF10MAPT
SCHEMBL382789 0.81 ITGB3 (0.45) ITGB3ITGAVITGA2BF10MAPT
SCHEMBL7660996 0.79 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL382971 0.78 ITGB3 (0.44) ITGB3ITGAVITGA2BF10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed